1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide

C22H32N2O2 — CID 24560730

IUPAC1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CCCC2CCCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(15-7-11-18-9-3-1-4-10-18)24-16-8-12-19(17-24)22(26)23-20-13-5-2-6-14-20/h2,5-6,13-14,18-19H,1,3-4,7-12,15-17H2,(H,23,26)
InChIKeyAROSJWSITUXQJX-UHFFFAOYSA-N
MW356.51 g/mol
LogP4.61
Rot. Bonds6

About 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide

1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide (PubChem CID 24560730) has the molecular formula C22H32N2O2 and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
PubChem CID24560730
Molecular FormulaC22H32N2O2
Molecular Weight356.51 g/mol
Exact Mass356.25
IUPAC Name1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccccc1)C1CCCN(C(=O)CCCC2CCCCC2)C1
InChIInChI=1S/C22H32N2O2/c25-21(15-7-11-18-9-3-1-4-10-18)24-16-8-12-19(17-24)22(26)23-20-13-5-2-6-14-20/h2,5-6,13-14,18-19H,1,3-4,7-12,15-17H2,(H,23,26)
InChIKeyAROSJWSITUXQJX-UHFFFAOYSA-N
XLogP4.61
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.51
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(dipropylamino)-5-oxopentanoyl]-N-phenylpiperidine-3-carboxamide
CID 56538808
(3S)-1-(3,3-diphenylpropanoyl)-N-phenylpiperidine-3-carboxamide
CID 27745627
1-(3-aminobutanoyl)-N-phenylpiperidine-3-carboxamide
CID 119697874
N-(2-aminoethyl)-1-(4-cyclopentylbutanoyl)piperidine-3-carboxamide
CID 119482463
1-[4-(4-oxo-3H-quinazolin-2-yl)butanoyl]-N-phenylpiperidine-3-carboxamide
CID 137316079
1-[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]-N-phenylpiperidine-3-carboxamide
CID 46653762
3-N-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42928143
4-[(3S)-3-(phenylcarbamoyl)piperidin-1-yl]butanoic acid
CID 124576176
1-[2-(9-oxoacridin-10-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 134051532
1-[2-(2-oxo-1,3-thiazolidin-3-yl)acetyl]-N-phenylpiperidine-3-carboxamide
CID 18110525
(3S)-3-N-(4-fluorophenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9070375
(3S)-3-N-(4-methylphenyl)-1-N-phenylpiperidine-1,3-dicarboxamide
CID 9071786

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide (CID 24560730) is 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide is O=C(Nc1ccccc1)C1CCCN(C(=O)CCCC2CCCCC2)C1.
What is the InChIKey of 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide?
The InChIKey is AROSJWSITUXQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O2/c25-21(15-7-11-18-9-3-1-4-10-18)24-16-8-12-19(17-24)22(26)23-20-13-5-2-6-14-20/h2,5-6,13-14,18-19H,1,3-4,7-12,15-17H2,(H,23,26).
What are the key properties of 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide?
1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide has a molecular weight of 356.51 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclohexylbutanoyl)-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 24560730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).