1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide

C27H34N2O4 — CID 42868383

IUPAC1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C27H34N2O4/c1-18-7-6-10-20(15-18)24-14-11-21(17-29(24)27(31)19-8-4-5-9-19)26(30)28-23-13-12-22(32-2)16-25(23)33-3/h6-7,10,12-13,15-16,19,21,24H,4-5,8-9,11,14,17H2,1-3H3,(H,28,30)
InChIKeyVNUYHELAIWCTKU-UHFFFAOYSA-N
MW450.58 g/mol
LogP5.12
Rot. Bonds6

About 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide (PubChem CID 42868383) has the molecular formula C27H34N2O4 and a molecular weight of 450.58 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
PubChem CID42868383
Molecular FormulaC27H34N2O4
Molecular Weight450.58 g/mol
Exact Mass450.25
IUPAC Name1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)C3CCCC3)C2)c(OC)c1
InChIInChI=1S/C27H34N2O4/c1-18-7-6-10-20(15-18)24-14-11-21(17-29(24)27(31)19-8-4-5-9-19)26(30)28-23-13-12-22(32-2)16-25(23)33-3/h6-7,10,12-13,15-16,19,21,24H,4-5,8-9,11,14,17H2,1-3H3,(H,28,30)
InChIKeyVNUYHELAIWCTKU-UHFFFAOYSA-N
XLogP5.12
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.58
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,6R)-1-(cyclopentanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-6-(3-methylphenyl)piperidine-3-carboxamide
CID 92998904
(3R,6R)-1-(cyclopentanecarbonyl)-N-ethyl-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328136
1-N-benzyl-3-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-1,3-dicarboxamide
CID 42868538
1-N-ethyl-3-N-(4-methoxyphenyl)-6-(3-methylphenyl)piperidine-1,3-dicarboxamide
CID 42849629
1-(4-chlorobenzoyl)-N-(2,4-dimethoxyphenyl)-6-phenylpiperidine-3-carboxamide
CID 46069307
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
1-(cyclopentanecarbonyl)-6-(4-fluoro-3-methylphenyl)-N-(4-methoxyphenyl)piperidine-3-carboxamide
CID 42866436
1-[(4-methoxyphenyl)carbamoyl]-6-(3-methylphenyl)piperidine-3-carboxylic acid
CID 42849397
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
N-(3-methoxyphenyl)-6-(3-methylphenyl)-1-(2-phenylacetyl)piperidine-3-carboxamide
CID 46071992
N-(2,4-dimethoxyphenyl)-1-(3,5-dimethylbenzoyl)piperidine-3-carboxamide
CID 50803885
[(2S,5R)-5-(4-benzylpiperidine-1-carbonyl)-2-(3-methylphenyl)piperidin-1-yl]-cyclopentylmethanone
CID 92998907

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide (CID 42868383) is 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide is COc1ccc(NC(=O)C2CCC(c3cccc(C)c3)N(C(=O)C3CCCC3)C2)c(OC)c1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
The InChIKey is VNUYHELAIWCTKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O4/c1-18-7-6-10-20(15-18)24-14-11-21(17-29(24)27(31)19-8-4-5-9-19)26(30)28-23-13-12-22(32-2)16-25(23)33-3/h6-7,10,12-13,15-16,19,21,24H,4-5,8-9,11,14,17H2,1-3H3,(H,28,30).
What are the key properties of 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide has a molecular weight of 450.58 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-N-(2,4-dimethoxyphenyl)-6-(3-methylphenyl)piperidine-3-carboxamide is sourced from PubChem (CID 42868383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).