1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile

C20H21N3O — CID 22898535

IUPAC1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
SMILESN#CC1(NCc2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c21-16-20(22-15-17-7-3-1-4-8-17)11-13-23(14-12-20)19(24)18-9-5-2-6-10-18/h1-10,22H,11-15H2
InChIKeyKOUODKDHUVYZTC-UHFFFAOYSA-N
MW319.41 g/mol
LogP2.97
Rot. Bonds4

About 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile

1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile (PubChem CID 22898535) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
PubChem CID22898535
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC Name1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile
SMILESN#CC1(NCc2ccccc2)CCN(C(=O)c2ccccc2)CC1
InChIInChI=1S/C20H21N3O/c21-16-20(22-15-17-7-3-1-4-8-17)11-13-23(14-12-20)19(24)18-9-5-2-6-10-18/h1-10,22H,11-15H2
InChIKeyKOUODKDHUVYZTC-UHFFFAOYSA-N
XLogP2.97
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(benzylamino)-4-cyano-N,N-dimethylpiperidine-1-carboxamide
CID 83269180
1-benzoyl-4-hydroxypiperidine-4-carbonitrile
CID 13284424
1-acetyl-4-[(4-chlorophenyl)methylamino]piperidine-4-carbonitrile
CID 28703081
1-acetyl-4-[(3-methylphenyl)methylamino]piperidine-4-carbonitrile
CID 28703076
N-benzyl-1-(4-cyanobenzoyl)-4-methylpiperidine-4-carboxamide
CID 46326816
2-(4-benzoylpiperazin-1-yl)-N-(1-cyanocyclopentyl)acetamide
CID 4782285
1-(benzylamino)-4,4-dimethylcycloheptane-1-carbonitrile
CID 65087940
4-[(8-benzoyl-4-oxo-2,3,8-triazaspiro[4.5]dec-1-en-3-yl)methyl]benzonitrile
CID 175398394
1-benzoyl-4-phenylpiperidine-4-carboxylic acid
CID 22240952
1-benzyl-3-[2-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-oxoethyl]urea
CID 46555188
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
4-[[2-(benzylcarbamoyloxy)-4-methylpentanoyl]amino]-4-cyanopiperidine-1-carboxylic acid
CID 22260296

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile?
The IUPAC name of 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile (CID 22898535) is 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile.
What is the SMILES notation for 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile?
The canonical SMILES for 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile is N#CC1(NCc2ccccc2)CCN(C(=O)c2ccccc2)CC1.
What is the InChIKey of 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile?
The InChIKey is KOUODKDHUVYZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c21-16-20(22-15-17-7-3-1-4-8-17)11-13-23(14-12-20)19(24)18-9-5-2-6-10-18/h1-10,22H,11-15H2.
What are the key properties of 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile?
1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile has a molecular weight of 319.41 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-4-(benzylamino)piperidine-4-carbonitrile is sourced from PubChem (CID 22898535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).