N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide

C27H27ClN2O4 — CID 42868433

IUPACN-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C27H27ClN2O4/c1-33-24-13-8-19(15-25(24)34-2)27(32)30-16-20(18-6-4-3-5-7-18)14-21(17-30)26(31)29-23-11-9-22(28)10-12-23/h3-13,15,20-21H,14,16-17H2,1-2H3,(H,29,31)
InChIKeyHYODGDFRWWUTQY-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.24
Rot. Bonds6

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

N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 42868433) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
PubChem CID42868433
Molecular FormulaC27H27ClN2O4
Molecular Weight478.98 g/mol
Exact Mass478.17
IUPAC NameN-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(c3ccccc3)C2)cc1OC
InChIInChI=1S/C27H27ClN2O4/c1-33-24-13-8-19(15-25(24)34-2)27(32)30-16-20(18-6-4-3-5-7-18)14-21(17-30)26(31)29-23-11-9-22(28)10-12-23/h3-13,15,20-21H,14,16-17H2,1-2H3,(H,29,31)
InChIKeyHYODGDFRWWUTQY-UHFFFAOYSA-N
XLogP5.24
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.98
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-1-(4-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868400
(3R,5S)-1-(3,4-dimethoxybenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 92994853
1-[4-[(3S,5S)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carbonyl]piperazin-1-yl]ethanone
CID 92995270
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
N-(3,5-dimethoxyphenyl)-1-(3-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868424
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
N-(3-chlorophenyl)-1-(furan-3-carbonyl)-5-phenylpiperidine-3-carboxamide
CID 42869328
1-(3,4-dimethoxybenzoyl)-N-(4-methylphenyl)piperidine-4-carboxamide
CID 113006178
(3S,5R)-1-(4-methoxybenzoyl)-5-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92994736
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 42865383
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
1-(4-fluorobenzoyl)-N-(2-methoxyethyl)-5-phenylpiperidine-3-carboxamide
CID 46064987

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide (CID 42868433) is N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CC(C(=O)Nc3ccc(Cl)cc3)CC(c3ccccc3)C2)cc1OC.
What is the InChIKey of N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is HYODGDFRWWUTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O4/c1-33-24-13-8-19(15-25(24)34-2)27(32)30-16-20(18-6-4-3-5-7-18)14-21(17-30)26(31)29-23-11-9-22(28)10-12-23/h3-13,15,20-21H,14,16-17H2,1-2H3,(H,29,31).
What are the key properties of N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide?
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 42868433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).