(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide

C23H26N2O2 — CID 92994779

IUPAC(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C23H26N2O2/c26-22(24-14-17-7-3-1-4-8-17)21-13-20(18-9-5-2-6-10-18)15-25(16-21)23(27)19-11-12-19/h1-10,19-21H,11-16H2,(H,24,26)/t20-,21+/m0/s1
InChIKeyIFNOPDUFYVHYER-LEWJYISDSA-N
MW362.47 g/mol
LogP3.35
Rot. Bonds5

About (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide

(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide (PubChem CID 92994779) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
PubChem CID92994779
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
SMILESO=C(NCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C2CC2)C1
InChIInChI=1S/C23H26N2O2/c26-22(24-14-17-7-3-1-4-8-17)21-13-20(18-9-5-2-6-10-18)15-25(16-21)23(27)19-11-12-19/h1-10,19-21H,11-16H2,(H,24,26)/t20-,21+/m0/s1
InChIKeyIFNOPDUFYVHYER-LEWJYISDSA-N
XLogP3.35
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5S)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide
CID 92994782
N-benzyl-1-(cyclopropanecarbonyl)-5-(3,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 46065112
(3S,5R)-N-benzyl-1-(2-fluorobenzoyl)-5-phenylpiperidine-3-carboxamide
CID 92994800
[3-(4-benzylpiperazine-1-carbonyl)-5-phenylpiperidin-1-yl]-cyclopropylmethanone
CID 42865330
1-N-benzyl-3-N-(furan-2-ylmethyl)-5-phenylpiperidine-1,3-dicarboxamide
CID 46065319
(3S,5S)-1-(cyclopropanecarbonyl)-N-[2-(2-methoxyphenyl)ethyl]-5-phenylpiperidine-3-carboxamide
CID 92998980
(3R,5S)-1-(cyclopentanecarbonyl)-5-(4-ethylphenyl)-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 92995377
N-benzyl-4-(3-methylpiperidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147914
1-N-ethyl-5-phenyl-3-N-(pyridin-3-ylmethyl)piperidine-1,3-dicarboxamide
CID 42865475
(3R,5S)-1-(cyclopropanecarbonyl)-5-(4-fluoro-3-methylphenyl)-N-[(3-fluorophenyl)methyl]piperidine-3-carboxamide
CID 92996848
1-N,3-N-diethyl-5-phenylpiperidine-1,3-dicarboxamide
CID 42865414
(3S,4S)-1-(cyclopropanecarbonyl)-N-[(4-fluorophenyl)methyl]-4-phenylpyrrolidine-3-carboxamide
CID 93148511

Frequently Asked Questions

What is the IUPAC name of (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide?
The IUPAC name of (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide (CID 92994779) is (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide is O=C(NCc1ccccc1)[C@@H]1C[C@H](c2ccccc2)CN(C(=O)C2CC2)C1.
What is the InChIKey of (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide?
The InChIKey is IFNOPDUFYVHYER-LEWJYISDSA-N. The full InChI is InChI=1S/C23H26N2O2/c26-22(24-14-17-7-3-1-4-8-17)21-13-20(18-9-5-2-6-10-18)15-25(16-21)23(27)19-11-12-19/h1-10,19-21H,11-16H2,(H,24,26)/t20-,21+/m0/s1.
What are the key properties of (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide?
(3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide has a molecular weight of 362.47 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,5R)-N-benzyl-1-(cyclopropanecarbonyl)-5-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 92994779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).