1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide

C27H34N2O5 — CID 42865383

IUPAC1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(c3ccc(OC)c(OC)c3)CN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C27H34N2O5/c1-32-23-10-6-9-22(15-23)28-26(30)21-13-20(19-11-12-24(33-2)25(14-19)34-3)16-29(17-21)27(31)18-7-4-5-8-18/h6,9-12,14-15,18,20-21H,4-5,7-8,13,16-17H2,1-3H3,(H,28,30)
InChIKeyFUHNZZNUBZHYCZ-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.47
Rot. Bonds7

About 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide (PubChem CID 42865383) has the molecular formula C27H34N2O5 and a molecular weight of 466.58 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
PubChem CID42865383
Molecular FormulaC27H34N2O5
Molecular Weight466.58 g/mol
Exact Mass466.25
IUPAC Name1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide
SMILESCOc1cccc(NC(=O)C2CC(c3ccc(OC)c(OC)c3)CN(C(=O)C3CCCC3)C2)c1
InChIInChI=1S/C27H34N2O5/c1-32-23-10-6-9-22(15-23)28-26(30)21-13-20(19-11-12-24(33-2)25(14-19)34-3)16-29(17-21)27(31)18-7-4-5-8-18/h6,9-12,14-15,18,20-21H,4-5,7-8,13,16-17H2,1-3H3,(H,28,30)
InChIKeyFUHNZZNUBZHYCZ-UHFFFAOYSA-N
XLogP4.47
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
3-N-(3-methoxyphenyl)-5-phenyl-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 42865487
1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 42865379
(3R,5R)-1-N-(3-methoxyphenyl)-5-phenyl-3-N-(2-phenylethyl)piperidine-1,3-dicarboxamide
CID 92995542
1-N-(3-methoxyphenyl)-5-(3-methylphenyl)-3-N-prop-2-enylpiperidine-1,3-dicarboxamide
CID 46065416
tert-butyl 3-[(3-methoxyphenyl)carbamoyl]piperidine-1-carboxylate
CID 24535934
N-(4-chlorophenyl)-1-(3,4-dimethoxybenzoyl)-5-phenylpiperidine-3-carboxamide
CID 42868433
ethyl 1-[1-[(3-methoxyphenyl)carbamoyl]-5-phenylpiperidine-3-carbonyl]piperidine-3-carboxylate
CID 42865473
4-(4-ethylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclohexane-1-carboxamide
CID 109147563
1-[2-(3,4-dimethoxyanilino)-2-oxoethyl]-N-(3-methoxyphenyl)piperidine-4-carboxamide
CID 16909601
1-acetyl-N-(4-methoxyphenyl)-5-phenylpiperidine-3-carboxamide
CID 42865244
3-N-(3,5-dimethoxyphenyl)-5-(3-methylphenyl)-1-N-propan-2-ylpiperidine-1,3-dicarboxamide
CID 46069425

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide (CID 42865383) is 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide is COc1cccc(NC(=O)C2CC(c3ccc(OC)c(OC)c3)CN(C(=O)C3CCCC3)C2)c1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide?
The InChIKey is FUHNZZNUBZHYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O5/c1-32-23-10-6-9-22(15-23)28-26(30)21-13-20(19-11-12-24(33-2)25(14-19)34-3)16-29(17-21)27(31)18-7-4-5-8-18/h6,9-12,14-15,18,20-21H,4-5,7-8,13,16-17H2,1-3H3,(H,28,30).
What are the key properties of 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide has a molecular weight of 466.58 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-5-(3,4-dimethoxyphenyl)-N-(3-methoxyphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42865383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).