4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile

C14H15ClN2O — CID 55256246

IUPAC4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
SMILESCC(=O)C1CCCCN1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(18)14-4-2-3-7-17(14)12-6-5-11(9-16)13(15)8-12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyGKYMPOCYJLUJKM-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.16
Rot. Bonds2

About 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile

4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile (PubChem CID 55256246) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile.

Molecular Properties

Compound Name4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
PubChem CID55256246
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile
SMILESCC(=O)C1CCCCN1c1ccc(C#N)c(Cl)c1
InChIInChI=1S/C14H15ClN2O/c1-10(18)14-4-2-3-7-17(14)12-6-5-11(9-16)13(15)8-12/h5-6,8,14H,2-4,7H2,1H3
InChIKeyGKYMPOCYJLUJKM-UHFFFAOYSA-N
XLogP3.16
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-4-cyanophenyl)-N-[1-(methylamino)ethyl]piperidine-2-carboxamide
CID 145422975
1-(3-bromo-4-cyanophenyl)piperidine-2-carboxylic acid
CID 107275315
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-2-chlorobenzonitrile
CID 79930031
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
1-(3-chloro-4-cyanophenyl)-N-(furan-2-ylmethyl)pyrrolidine-2-carboxamide
CID 86805093
1-(4-cyano-3-methylphenyl)pyrrolidine-2-carboxamide
CID 81281732
1-(3-chloro-4-cyanophenyl)-N,N-dimethylpiperidine-3-carboxamide
CID 133304205
1-(4-amino-3-cyanophenyl)-N-methylpiperidine-2-carboxamide
CID 115499282
4-(4-acetyl-1,4-diazepan-1-yl)-2-chlorobenzonitrile
CID 62947155
2-(2-acetylpiperidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79874356
2-chloro-4-[(2S)-2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]benzonitrile
CID 90959288
2-chloro-4-[2-[(1R)-2,2,2-trifluoro-1-hydroxyethyl]pyrrolidin-1-yl]benzonitrile
CID 89483294

Frequently Asked Questions

What is the IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile?
The IUPAC name of 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile (CID 55256246) is 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile.
What is the SMILES notation for 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile?
The canonical SMILES for 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile is CC(=O)C1CCCCN1c1ccc(C#N)c(Cl)c1.
What is the InChIKey of 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile?
The InChIKey is GKYMPOCYJLUJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c1-10(18)14-4-2-3-7-17(14)12-6-5-11(9-16)13(15)8-12/h5-6,8,14H,2-4,7H2,1H3.
What are the key properties of 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile?
4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile has a molecular weight of 262.74 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-acetylpiperidin-1-yl)-2-chlorobenzonitrile is sourced from PubChem (CID 55256246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).