1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile

C16H19ClN2O — CID 110409909

IUPAC1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CCCc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN2O/c17-15-6-2-1-4-14(15)5-3-7-16(20)19-10-8-13(12-18)9-11-19/h1-2,4,6,13H,3,5,7-11H2
InChIKeyLTGYVZWEKYQKHV-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.42
Rot. Bonds4

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

1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile (PubChem CID 110409909) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
PubChem CID110409909
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)CCCc2ccccc2Cl)CC1
InChIInChI=1S/C16H19ClN2O/c17-15-6-2-1-4-14(15)5-3-7-16(20)19-10-8-13(12-18)9-11-19/h1-2,4,6,13H,3,5,7-11H2
InChIKeyLTGYVZWEKYQKHV-UHFFFAOYSA-N
XLogP3.42
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-chlorophenyl)-1-piperazin-1-ylbutan-1-one
CID 83924216
1-[4-(2-chlorophenyl)-4-oxobutanoyl]piperidine-4-carbonitrile
CID 110634386
7-(2-chlorophenyl)-1-pyrrolidin-1-ylheptan-1-one
CID 155511120
(2-chlorophenyl)methyl 4-cyanopiperidine-1-carboxylate
CID 174832128
1-(2-phenylacetyl)piperidine-4-carbonitrile
CID 39247378
4-(2-chlorophenyl)-1-[4-[3-(diethylamino)propanoyl]piperazin-1-yl]butan-1-one
CID 110423196
methyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 43404780
1-(3-phenoxypropanoyl)piperidine-4-carbonitrile
CID 39359717
1-[2-(3,4-dichlorophenyl)acetyl]piperidine-4-carbonitrile
CID 49064702
3-(2-chlorophenyl)-1-[4-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 47067210
1-hexanoylpiperidine-4-carbonitrile
CID 49062755
ethyl 1-[3-(2-chlorophenyl)propanoyl]piperidine-4-carboxylate
CID 94143908

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile (CID 110409909) is 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile is N#CC1CCN(C(=O)CCCc2ccccc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile?
The InChIKey is LTGYVZWEKYQKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c17-15-6-2-1-4-14(15)5-3-7-16(20)19-10-8-13(12-18)9-11-19/h1-2,4,6,13H,3,5,7-11H2.
What are the key properties of 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile?
1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile has a molecular weight of 290.79 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorophenyl)butanoyl]piperidine-4-carbonitrile is sourced from PubChem (CID 110409909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).