1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide

C26H32N2O2 — CID 42849427

IUPAC1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(c2ccccc2)N(C(=O)C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C26H32N2O2/c1-19(20-10-4-2-5-11-20)27-25(29)23-16-17-24(21-12-6-3-7-13-21)28(18-23)26(30)22-14-8-9-15-22/h2-7,10-13,19,22-24H,8-9,14-18H2,1H3,(H,27,29)
InChIKeySJDPSQQEGRUVOI-UHFFFAOYSA-N
MW404.55 g/mol
LogP5.03
Rot. Bonds5

About 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide

1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide (PubChem CID 42849427) has the molecular formula C26H32N2O2 and a molecular weight of 404.55 g/mol. Its IUPAC name is 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
PubChem CID42849427
Molecular FormulaC26H32N2O2
Molecular Weight404.55 g/mol
Exact Mass404.25
IUPAC Name1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
SMILESCC(NC(=O)C1CCC(c2ccccc2)N(C(=O)C2CCCC2)C1)c1ccccc1
InChIInChI=1S/C26H32N2O2/c1-19(20-10-4-2-5-11-20)27-25(29)23-16-17-24(21-12-6-3-7-13-21)28(18-23)26(30)22-14-8-9-15-22/h2-7,10-13,19,22-24H,8-9,14-18H2,1H3,(H,27,29)
InChIKeySJDPSQQEGRUVOI-UHFFFAOYSA-N
XLogP5.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.55
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-acetyl-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide
CID 46041424
(3R,6S)-1-N-benzyl-6-phenyl-3-N-[(1S)-1-phenylethyl]piperidine-1,3-dicarboxamide
CID 99768177
6-(4-fluorophenyl)-1-(2-methoxyacetyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 42849481
1-N,4-N-bis[(1S)-1-phenylethyl]cyclohexane-1,4-dicarboxamide
CID 40636599
(3S,6R)-N-[(2S)-butan-2-yl]-1-(cyclopentanecarbonyl)-6-(3-methylphenyl)piperidine-3-carboxamide
CID 93328301
1-N-butyl-6-(4-fluorophenyl)-3-N-(1-phenylethyl)piperidine-1,3-dicarboxamide
CID 46041648
(3S)-1-(2-methylpropyl)-N-[(1R)-1-phenylethyl]pyrrolidine-3-carboxamide
CID 174863774
(3R,6R)-1-(cyclopropanecarbonyl)-N-(2-methoxyethyl)-6-phenylpiperidine-3-carboxamide
CID 93328250
(3S)-1-methylsulfonyl-N-[(1R)-1-phenylethyl]piperidine-3-carboxamide
CID 7319798
cyclohexyl-(2-phenylpiperidin-1-yl)methanone
CID 161290286
(3R)-1-(benzenesulfonyl)-N-[(1S)-1-phenylethyl]piperidine-3-carboxamide
CID 39878026
1-(2,2-dimethylpropanoyl)-N-(1-phenylethyl)piperidine-3-carboxamide
CID 47984430

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide (CID 42849427) is 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide is CC(NC(=O)C1CCC(c2ccccc2)N(C(=O)C2CCCC2)C1)c1ccccc1.
What is the InChIKey of 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
The InChIKey is SJDPSQQEGRUVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O2/c1-19(20-10-4-2-5-11-20)27-25(29)23-16-17-24(21-12-6-3-7-13-21)28(18-23)26(30)22-14-8-9-15-22/h2-7,10-13,19,22-24H,8-9,14-18H2,1H3,(H,27,29).
What are the key properties of 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide?
1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide has a molecular weight of 404.55 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopentanecarbonyl)-6-phenyl-N-(1-phenylethyl)piperidine-3-carboxamide is sourced from PubChem (CID 42849427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).