Troxipide

CAT: 0926-FT33961-03Size: 5 gDry Ice: NoHazardous: No

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CAT#:0926-FT33961-03Size:5 g

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CAS Number

30751-05-4

MDL Number

MFCD00866876

Smiles

COC1=CC (=CC (=C1OC) OC) C (=O) NC2CCCNC2

Molecular Formula

C15H22N2O4

Molecular Weight

294.35 g/mol

Controlled

Chemical Information

Troxipide

Troxipide is a member of benzamides.

CAS Number	30751-05-4
PubChem CID	5597
IUPAC Name	3,4,5-trimethoxy-N-piperidin-3-ylbenzamide
Molecular Formula	C15H22N2O4
Molecular Weight	294.35
XLogP	1.2
Topological Polar Surface Area	68.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Heavy Atom Count	21
Formal Charge	0
Complexity	326

SMILES

COC1=CC(=CC(=C1OC)OC)C(=O)NC2CCCNC2

InChI

InChI=1S/C15H22N2O4/c1-19-12-7-10(8-13(20-2)14(12)21-3)15(18)17-11-5-4-6-16-9-11/h7-8,11,16H,4-6,9H2,1-3H3,(H,17,18)

InChIKey

YSIITVVESCNIPR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 30751-05-4

CID: 5597

Formula: C15H22N2O4

MW: 294.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.35
XLogP3	1.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	5
Exact Mass	294.15795719
Monoisotopic Mass	294.15795719
Topological Polar Surface Area	68.8 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	326
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes