1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile

C14H15ClN2O2 — CID 49064321

IUPAC1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C14H15ClN2O2/c1-19-13-3-2-11(15)8-12(13)14(18)17-6-4-10(9-16)5-7-17/h2-3,8,10H,4-7H2,1H3
InChIKeyICXBBISEBSPKFQ-UHFFFAOYSA-N
MW278.74 g/mol
LogP2.72
Rot. Bonds2

About 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile (PubChem CID 49064321) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
PubChem CID49064321
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile
SMILESCOc1ccc(Cl)cc1C(=O)N1CCC(C#N)CC1
InChIInChI=1S/C14H15ClN2O2/c1-19-13-3-2-11(15)8-12(13)14(18)17-6-4-10(9-16)5-7-17/h2-3,8,10H,4-7H2,1H3
InChIKeyICXBBISEBSPKFQ-UHFFFAOYSA-N
XLogP2.72
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-chloro-2-methoxybenzoyl)piperidine-4-carboxamide
CID 2473565
methyl 4-(5-chloro-2-methoxybenzoyl)piperazine-1-carboxylate
CID 110803250
[4-(bromomethyl)piperidin-1-yl]-(5-chloro-2-methoxyphenyl)methanone
CID 80677434
[4-[1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonyl]piperazin-1-yl]-cyclobutylmethanone
CID 56511112
1-(5-chloro-2-methoxybenzoyl)pyrrolidine-3-carboxylic acid
CID 55151545
(5-chloro-2-methoxyphenyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 2904490
(5-chloro-2-methoxyphenyl)-[4-(1,1-dioxo-1,4-thiazinan-4-yl)piperidin-1-yl]methanone
CID 136521523
1-(5-chloro-2-methoxybenzoyl)-N-cyclopropyl-N-methylpiperidine-4-carboxamide
CID 55627034
(3S)-1-(4-chloro-2-methoxybenzoyl)piperidine-3-carbonitrile
CID 96560503
N-[1-(5-chloro-2-methoxybenzoyl)piperidin-4-yl]-3,5-dimethoxybenzamide
CID 108550590
(5-chloro-2-methoxyphenyl)-[(3R)-3-methylsulfonylpyrrolidin-1-yl]methanone
CID 129373829
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile (CID 49064321) is 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile is COc1ccc(Cl)cc1C(=O)N1CCC(C#N)CC1.
What is the InChIKey of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile?
The InChIKey is ICXBBISEBSPKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c1-19-13-3-2-11(15)8-12(13)14(18)17-6-4-10(9-16)5-7-17/h2-3,8,10H,4-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile?
1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile has a molecular weight of 278.74 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxybenzoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 49064321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).