1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide

C27H27ClN2O4 — CID 46069307

IUPAC1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C27H27ClN2O4/c1-33-22-13-14-23(25(16-22)34-2)29-26(31)20-10-15-24(18-6-4-3-5-7-18)30(17-20)27(32)19-8-11-21(28)12-9-19/h3-9,11-14,16,20,24H,10,15,17H2,1-2H3,(H,29,31)
InChIKeyDYFPUJOMNMEMDQ-UHFFFAOYSA-N
MW478.98 g/mol
LogP5.59
Rot. Bonds6

About 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide

1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide (PubChem CID 46069307) has the molecular formula C27H27ClN2O4 and a molecular weight of 478.98 g/mol. Its IUPAC name is 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
PubChem CID46069307
Molecular FormulaC27H27ClN2O4
Molecular Weight478.98 g/mol
Exact Mass478.17
IUPAC Name1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1
InChIInChI=1S/C27H27ClN2O4/c1-33-22-13-14-23(25(16-22)34-2)29-26(31)20-10-15-24(18-6-4-3-5-7-18)30(17-20)27(32)19-8-11-21(28)12-9-19/h3-9,11-14,16,20,24H,10,15,17H2,1-2H3,(H,29,31)
InChIKeyDYFPUJOMNMEMDQ-UHFFFAOYSA-N
XLogP5.59
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 ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
(3S)-1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 26735004
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 42868383
1-benzyl-N-(2,4-dimethoxyphenyl)-6-(4-fluorophenyl)piperidine-3-carboxamide
CID 42870440
N-(2,4-dimethoxyphenyl)-1-(4-methoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868408
1-(4-chlorobenzoyl)-N-[(3-fluorophenyl)methyl]-6-phenylpiperidine-3-carboxamide
CID 46041479
1-(4-chlorobenzoyl)-N-(2-methoxyphenyl)piperidine-4-carboxamide
CID 2295609
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 92641921
N-(3-chlorophenyl)-1-(2-methoxyacetyl)-6-phenylpiperidine-3-carboxamide
CID 42868356
(3R)-1-benzyl-N-(2,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40602528

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide?
The IUPAC name of 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide (CID 46069307) is 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide.
What is the SMILES notation for 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide?
The canonical SMILES for 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCC(c3ccccc3)N(C(=O)c3ccc(Cl)cc3)C2)c(OC)c1.
What is the InChIKey of 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide?
The InChIKey is DYFPUJOMNMEMDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27ClN2O4/c1-33-22-13-14-23(25(16-22)34-2)29-26(31)20-10-15-24(18-6-4-3-5-7-18)30(17-20)27(32)19-8-11-21(28)12-9-19/h3-9,11-14,16,20,24H,10,15,17H2,1-2H3,(H,29,31).
What are the key properties of 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide?
1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide has a molecular weight of 478.98 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 46069307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).