1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

C26H26ClN3O3 — CID 17153136

IUPAC1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C26H26ClN3O3/c1-33-22-11-9-20(10-12-22)28-26(32)23-7-2-3-8-24(23)29-25(31)18-13-15-30(16-14-18)21-6-4-5-19(27)17-21/h2-12,17-18H,13-16H2,1H3,(H,28,32)(H,29,31)
InChIKeyUOCOIHSCMFQTHI-UHFFFAOYSA-N
MW463.97 g/mol
LogP5.46
Rot. Bonds6

About 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide

1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide (PubChem CID 17153136) has the molecular formula C26H26ClN3O3 and a molecular weight of 463.97 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
PubChem CID17153136
Molecular FormulaC26H26ClN3O3
Molecular Weight463.97 g/mol
Exact Mass463.17
IUPAC Name1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1
InChIInChI=1S/C26H26ClN3O3/c1-33-22-11-9-20(10-12-22)28-26(32)23-7-2-3-8-24(23)29-25(31)18-13-15-30(16-14-18)21-6-4-5-19(27)17-21/h2-12,17-18H,13-16H2,1H3,(H,28,32)(H,29,31)
InChIKeyUOCOIHSCMFQTHI-UHFFFAOYSA-N
XLogP5.46
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.97
LogP ≤ 55.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-chlorophenyl)-N-(4-methoxyphenyl)piperidine-4-carboxamide
CID 17152909
1-(2-chlorobenzoyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide
CID 17223510
N-[2-(tert-butylcarbamoyl)phenyl]-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153142
N-(4-chloro-2,5-dimethoxyphenyl)-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17153018
1-(3-chlorophenyl)-N-(4-methoxy-2-nitrophenyl)piperidine-4-carboxamide
CID 17152952
1-(3-chlorophenyl)-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 17153034
N-[5-fluoro-2-[(4-methoxyphenyl)carbamoyl]phenyl]-1-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 18174513
N-(5-chloro-2-methoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152311
cis-(1R,2S)-2-[[2-[(4-methoxyphenyl)carbamoyl]phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 982067
N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119265973
N-(4-chloro-2,5-dimethoxyphenyl)-1-phenylpiperidine-4-carboxamide
CID 17152391
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)-2-oxoacetamide
CID 44901895

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide (CID 17153136) is 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide is COc1ccc(NC(=O)c2ccccc2NC(=O)C2CCN(c3cccc(Cl)c3)CC2)cc1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide?
The InChIKey is UOCOIHSCMFQTHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClN3O3/c1-33-22-11-9-20(10-12-22)28-26(32)23-7-2-3-8-24(23)29-25(31)18-13-15-30(16-14-18)21-6-4-5-19(27)17-21/h2-12,17-18H,13-16H2,1H3,(H,28,32)(H,29,31).
What are the key properties of 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide?
1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide has a molecular weight of 463.97 g/mol, XLogP of 5.46, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[2-[(4-methoxyphenyl)carbamoyl]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 17153136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).