4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide

C19H25ClN2O2 — CID 655632

IUPAC4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O2/c20-16-8-6-14(7-9-16)18(23)15-10-12-22(13-11-15)19(24)21-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H,21,24)
InChIKeyIBLCFGNIMUAIQB-UHFFFAOYSA-N
MW348.87 g/mol
LogP4.28
Rot. Bonds3

About 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide

4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide (PubChem CID 655632) has the molecular formula C19H25ClN2O2 and a molecular weight of 348.87 g/mol. Its IUPAC name is 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide
PubChem CID655632
Molecular FormulaC19H25ClN2O2
Molecular Weight348.87 g/mol
Exact Mass348.16
IUPAC Name4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide
SMILESO=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C19H25ClN2O2/c20-16-8-6-14(7-9-16)18(23)15-10-12-22(13-11-15)19(24)21-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H,21,24)
InChIKeyIBLCFGNIMUAIQB-UHFFFAOYSA-N
XLogP4.28
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.87
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-Chloro-phenyl)-4-[4-(1-ethyl-propyl)-piperazin-1-yl]-butane-1,4-dione
CID 11450972
1-[4-(4-Chlorobenzoyl)piperidin-1-yl]ethanone
CID 544682
N-[2-(1-benzylpiperidin-4-yl)ethyl]-4-chlorobenzamide hydrochloride
CID 14783875
1-(4-chlorobenzoyl)-N-cyclopropylpiperidine-4-carboxamide
CID 1072789
4-(4-Chloro-benzoyl)-piperidine-1-carbothioic acid (3-methoxy-propyl)-amide
CID 3223573
4-(4-Chloro-benzoyl)-piperidine-1-carbothioic acid propylamide
CID 3223590
4-(4-Chloro-benzoyl)-piperidine-1-carbothioic acid allylamide
CID 3223599
4-chloro-N-[4-(3,5-dimethylpiperidin-1-yl)-4-oxobutyl]benzamide
CID 17407936
(1-But-3-enoylpiperidin-3-yl)(4-chlorophenyl)methanone
CID 23723418
[4-(4-Chloro-benzoyl)-piperidin-1-yl]-phenyl-methanone
CID 1437817
1-[3-(4-Chlorobenzoyl)propyl]-4-benzamidopiperidine
CID 10271391
1-(4-Chlorophenyl)-4-(4-cyclohexylpiperazin-1-yl)butane-1,4-dione;hydrochloride
CID 18456234

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide?
The IUPAC name of 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide (CID 655632) is 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide?
The canonical SMILES for 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide is O=C(c1ccc(Cl)cc1)C1CCN(C(=O)NC2CCCCC2)CC1.
What is the InChIKey of 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide?
The InChIKey is IBLCFGNIMUAIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN2O2/c20-16-8-6-14(7-9-16)18(23)15-10-12-22(13-11-15)19(24)21-17-4-2-1-3-5-17/h6-9,15,17H,1-5,10-13H2,(H,21,24).
What are the key properties of 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide?
4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide has a molecular weight of 348.87 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorobenzoyl)-N-cyclohexylpiperidine-1-carboxamide is sourced from PubChem (CID 655632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).