DDO-02001

CAT: 0013-GTR19187566-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0013-GTR19187566-01Size:25 mg

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Description

DDO-02001

CAS Number

1186049-49-9

Field of Research

Metabolism Research, Pharmacology & Drug Discovery

Smiles

C (N1CCC (C (NC2=CC=C (OC) C=C2) =O) CC1) C3=CC=CC=C3

Molecular Formula

C20H24N2O2

Molecular Weight

324.42

Storage Conditions

-20°C

Notes

For research use only.

Chemical Information

1-benzyl-N-(4-methoxyphenyl)piperidine-4-carboxamide

CAS Number	1186049-49-9
PubChem CID	44188610
IUPAC Name	1-benzyl-N-(4-methoxyphenyl)piperidine-4-carboxamide
Molecular Formula	C20H24N2O2
Molecular Weight	324.4
XLogP	3.1
Topological Polar Surface Area	41.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	379

SMILES

COC1=CC=C(C=C1)NC(=O)C2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-24-19-9-7-18(8-10-19)21-20(23)17-11-13-22(14-12-17)15-16-5-3-2-4-6-16/h2-10,17H,11-15H2,1H3,(H,21,23)

InChIKey

GJFMBUUKNHBDOX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1186049-49-9

CID: 44188610

Formula: C20H24N2O2

MW: 324.4

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	324.4
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	324.183778013
Monoisotopic Mass	324.183778013
Topological Polar Surface Area	41.6 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	379
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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DDO-02001

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