4-(acetamidomethyl)-N-piperidin-3-ylbenzamide

C15H21N3O2 — CID 119425557

IUPAC4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
SMILESCC(=O)NCc1ccc(C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(19)17-9-12-4-6-13(7-5-12)15(20)18-14-3-2-8-16-10-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyYFYOEJWFFSSXPK-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.80
Rot. Bonds4

About 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide

4-(acetamidomethyl)-N-piperidin-3-ylbenzamide (PubChem CID 119425557) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide.

Molecular Properties

Compound Name4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
PubChem CID119425557
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name4-(acetamidomethyl)-N-piperidin-3-ylbenzamide
SMILESCC(=O)NCc1ccc(C(=O)NC2CCCNC2)cc1
InChIInChI=1S/C15H21N3O2/c1-11(19)17-9-12-4-6-13(7-5-12)15(20)18-14-3-2-8-16-10-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20)
InChIKeyYFYOEJWFFSSXPK-UHFFFAOYSA-N
XLogP0.80
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,2-dimethylpropanoylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119450570
4-[(cyclopentanecarbonylamino)methyl]-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119452392
4-(acetamidomethyl)-N-(8-azabicyclo[3.2.1]octan-3-yl)benzamide
CID 119456323
4-(acetamidomethyl)-N-(4-methylcyclohexyl)benzamide
CID 17431349
4-amino-N-[(3S)-piperidin-3-yl]benzamide
CID 89225185
4-ethyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 79689710
N-piperidin-3-ylbenzamide
CID 22017045
4-(dimethylamino)-N-piperidin-3-ylbenzamide
CID 43146815
2-(acetamidomethyl)-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 112530809
cis-(1R,3S)-3-[[4-(acetamidomethyl)benzoyl]amino]cyclopentane-1-carboxylic acid
CID 120677359
1-[(4-chlorophenyl)methyl]-3-piperidin-3-ylurea
CID 117235602
4-acetyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119449499

Frequently Asked Questions

What is the IUPAC name of 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide?
The IUPAC name of 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide (CID 119425557) is 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide.
What is the SMILES notation for 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide?
The canonical SMILES for 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide is CC(=O)NCc1ccc(C(=O)NC2CCCNC2)cc1.
What is the InChIKey of 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide?
The InChIKey is YFYOEJWFFSSXPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-11(19)17-9-12-4-6-13(7-5-12)15(20)18-14-3-2-8-16-10-14/h4-7,14,16H,2-3,8-10H2,1H3,(H,17,19)(H,18,20).
What are the key properties of 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide?
4-(acetamidomethyl)-N-piperidin-3-ylbenzamide has a molecular weight of 275.35 g/mol, XLogP of 0.80, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(acetamidomethyl)-N-piperidin-3-ylbenzamide is sourced from PubChem (CID 119425557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).