ML340

CAT: 0926-GTC10892-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-GTC10892-01Size:50 mg

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CAS Number

1706108-92-0

Smiles

CC1CCN (CC1) C2=NC=NC (=C2) NC (=O) C3=CC=CC=C3

Molecular Formula

C17H20N4O

Molecular Weight

296.37 g/mol

Controlled

Chemical Information

N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide

CAS Number	1706108-92-0
PubChem CID	65389180
IUPAC Name	N-[6-(4-methylpiperidin-1-yl)pyrimidin-4-yl]benzamide
Molecular Formula	C17H20N4O
Molecular Weight	296.37
XLogP	3.1
Topological Polar Surface Area	58.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	362

SMILES

CC1CCN(CC1)C2=NC=NC(=C2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H20N4O/c1-13-7-9-21(10-8-13)16-11-15(18-12-19-16)20-17(22)14-5-3-2-4-6-14/h2-6,11-13H,7-10H2,1H3,(H,18,19,20,22)

InChIKey

QUWAUKDDNKSIJN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1706108-92-0

CID: 65389180

Formula: C17H20N4O

MW: 296.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	296.37
XLogP3	3.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	296.16371127
Monoisotopic Mass	296.16371127
Topological Polar Surface Area	58.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	362
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