1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile

C20H19ClN2O — CID 46991082

IUPAC1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O/c21-18-7-5-15(6-8-18)13-17-3-1-2-4-19(17)20(24)23-11-9-16(14-22)10-12-23/h1-8,16H,9-13H2
InChIKeySBYCYLUGQKEZOR-UHFFFAOYSA-N
MW338.84 g/mol
LogP4.31
Rot. Bonds3

About 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile

1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile (PubChem CID 46991082) has the molecular formula C20H19ClN2O and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
PubChem CID46991082
Molecular FormulaC20H19ClN2O
Molecular Weight338.84 g/mol
Exact Mass338.12
IUPAC Name1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H19ClN2O/c21-18-7-5-15(6-8-18)13-17-3-1-2-4-19(17)20(24)23-11-9-16(14-22)10-12-23/h1-8,16H,9-13H2
InChIKeySBYCYLUGQKEZOR-UHFFFAOYSA-N
XLogP4.31
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dichlorobenzoyl)piperidine-4-carbonitrile
CID 49064699
1-(2-acetylbenzoyl)piperidine-4-carbonitrile
CID 91781325
[2-[(4-chlorophenyl)methyl]phenyl]-[(2R)-2-(trifluoromethyl)morpholin-4-yl]methanone
CID 95399137
1-(2-methylsulfanylbenzoyl)piperidine-4-carbonitrile
CID 28665910
azocan-1-yl-(2-benzylphenyl)methanone
CID 112793165
(3S)-1-(2-benzylbenzoyl)pyrrolidine-3-carboxylic acid
CID 124703438
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
CID 49064321
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
1-(3-chlorobenzoyl)piperidine-4-carbonitrile
CID 39351559
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
CID 174832128
1-[4-(2-chlorophenyl)-4-oxobutanoyl]piperidine-4-carbonitrile
CID 110634386
(2-benzylphenyl)-[4-(ethylaminomethyl)piperidin-1-yl]methanone
CID 119646387

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile (CID 46991082) is 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)c2ccccc2Cc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile?
The InChIKey is SBYCYLUGQKEZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O/c21-18-7-5-15(6-8-18)13-17-3-1-2-4-19(17)20(24)23-11-9-16(14-22)10-12-23/h1-8,16H,9-13H2.
What are the key properties of 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile?
1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile has a molecular weight of 338.84 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-chlorophenyl)methyl]benzoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 46991082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).