N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

C25H22ClFN2O2 — CID 42868400

IUPACN-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H22ClFN2O2/c26-21-8-12-23(13-9-21)28-24(30)20-14-19(17-4-2-1-3-5-17)15-29(16-20)25(31)18-6-10-22(27)11-7-18/h1-13,19-20H,14-16H2,(H,28,30)
InChIKeyKZQNBVWSTUFQPU-UHFFFAOYSA-N
MW436.91 g/mol
LogP5.36
Rot. Bonds4

About N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide

N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42868400) has the molecular formula C25H22ClFN2O2 and a molecular weight of 436.91 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42868400
Molecular FormulaC25H22ClFN2O2
Molecular Weight436.91 g/mol
Exact Mass436.14
IUPAC NameN-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)cc1)C1CC(c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C25H22ClFN2O2/c26-21-8-12-23(13-9-21)28-24(30)20-14-19(17-4-2-1-3-5-17)15-29(16-20)25(31)18-6-10-22(27)11-7-18/h1-13,19-20H,14-16H2,(H,28,30)
InChIKeyKZQNBVWSTUFQPU-UHFFFAOYSA-N
XLogP5.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.91
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
(3R,5S)-N-cyclopropyl-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994693
(3S,5R)-N-[(2R)-butan-2-yl]-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994677
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987
1-(3,4-difluorobenzoyl)-N-(4-fluorophenyl)azetidine-3-carboxamide
CID 90513686
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
(3S)-1-(4-chlorobenzoyl)-N-(4-phenylphenyl)piperidine-3-carboxamide
CID 2542955
1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 46065014
(3R,5S)-1-benzoyl-N-ethyl-5-phenylpiperidine-3-carboxamide
CID 92994765
N-(4-chlorophenyl)-1-(4-phenylbenzoyl)piperidine-4-carboxamide
CID 126071800
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide (CID 42868400) is N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is O=C(Nc1ccc(Cl)cc1)C1CC(c2ccccc2)CN(C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is KZQNBVWSTUFQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClFN2O2/c26-21-8-12-23(13-9-21)28-24(30)20-14-19(17-4-2-1-3-5-17)15-29(16-20)25(31)18-6-10-22(27)11-7-18/h1-13,19-20H,14-16H2,(H,28,30).
What are the key properties of N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide?
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 436.91 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).