N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide

C23H21ClN2O3 — CID 42869328

IUPACN-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(c2ccccc2)CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C23H21ClN2O3/c24-20-7-4-8-21(12-20)25-22(27)19-11-18(16-5-2-1-3-6-16)13-26(14-19)23(28)17-9-10-29-15-17/h1-10,12,15,18-19H,11,13-14H2,(H,25,27)
InChIKeyZWLNRBWUMAUYFA-UHFFFAOYSA-N
MW408.89 g/mol
LogP4.82
Rot. Bonds4

About N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide

N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42869328) has the molecular formula C23H21ClN2O3 and a molecular weight of 408.89 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42869328
Molecular FormulaC23H21ClN2O3
Molecular Weight408.89 g/mol
Exact Mass408.12
IUPAC NameN-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)C1CC(c2ccccc2)CN(C(=O)c2ccoc2)C1
InChIInChI=1S/C23H21ClN2O3/c24-20-7-4-8-21(12-20)25-22(27)19-11-18(16-5-2-1-3-6-16)13-26(14-19)23(28)17-9-10-29-15-17/h1-10,12,15,18-19H,11,13-14H2,(H,25,27)
InChIKeyZWLNRBWUMAUYFA-UHFFFAOYSA-N
XLogP4.82
TPSA62.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 46071052
(3S,5R)-N-[(2S)-butan-2-yl]-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 92999981
N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
N-(3,5-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948171
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
1-N-(3-chlorophenyl)-3-N-[(3-methylphenyl)methyl]-5-phenylpiperidine-1,3-dicarboxamide
CID 42865494
1-(3-chlorobenzoyl)-N-phenylpiperidine-3-carboxamide
CID 17394642
N-(3,4-dichlorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 46568104
N-(3-chloro-4-fluorophenyl)-1-(furan-3-carbonyl)piperidine-3-carboxamide
CID 42948189
(3R,5S)-5-(4-ethylphenyl)-1-(furan-3-carbonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 93000015
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide (CID 42869328) is N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide is O=C(Nc1cccc(Cl)c1)C1CC(c2ccccc2)CN(C(=O)c2ccoc2)C1.
What is the InChIKey of N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is ZWLNRBWUMAUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O3/c24-20-7-4-8-21(12-20)25-22(27)19-11-18(16-5-2-1-3-6-16)13-26(14-19)23(28)17-9-10-29-15-17/h1-10,12,15,18-19H,11,13-14H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide?
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 408.89 g/mol, XLogP of 4.82, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42869328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).