(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide

C27H27FN2O2 — CID 95761596

IUPAC(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27FN2O2/c28-23-13-11-20(12-14-23)17-18-29-27(32)24-15-16-25(31)30(19-21-7-3-1-4-8-21)26(24)22-9-5-2-6-10-22/h1-14,24,26H,15-19H2,(H,29,32)/t24-,26?/m1/s1
InChIKeyPHDKLXGWICJSIX-RMVMEJTISA-N
MW430.52 g/mol
LogP4.66
Rot. Bonds7

About (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide

(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 95761596) has the molecular formula C27H27FN2O2 and a molecular weight of 430.52 g/mol. Its IUPAC name is (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID95761596
Molecular FormulaC27H27FN2O2
Molecular Weight430.52 g/mol
Exact Mass430.21
IUPAC Name(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)C1c1ccccc1
InChIInChI=1S/C27H27FN2O2/c28-23-13-11-20(12-14-23)17-18-29-27(32)24-15-16-25(31)30(19-21-7-3-1-4-8-21)26(24)22-9-5-2-6-10-22/h1-14,24,26H,15-19H2,(H,29,32)/t24-,26?/m1/s1
InChIKeyPHDKLXGWICJSIX-RMVMEJTISA-N
XLogP4.66
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
(2R,3R)-1-benzyl-N-[2-(1H-indol-3-yl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 101404404
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
(3R,4R)-3-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyrrolidine-3,4-dicarboxamide
CID 154961335
N-[2-(4-fluorophenyl)ethyl]-1,2-bis(4-methoxyphenyl)-6-oxopiperidine-3-carboxamide
CID 42989394
(3R,6R)-1-[(4-fluorophenyl)methyl]-6-phenyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 92984791
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
1-benzyl-N-[(2-ethoxy-4-pyridinyl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86847999
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119400053

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide (CID 95761596) is (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide is O=C(NCCc1ccc(F)cc1)[C@@H]1CCC(=O)N(Cc2ccccc2)C1c1ccccc1.
What is the InChIKey of (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is PHDKLXGWICJSIX-RMVMEJTISA-N. The full InChI is InChI=1S/C27H27FN2O2/c28-23-13-11-20(12-14-23)17-18-29-27(32)24-15-16-25(31)30(19-21-7-3-1-4-8-21)26(24)22-9-5-2-6-10-22/h1-14,24,26H,15-19H2,(H,29,32)/t24-,26?/m1/s1.
What are the key properties of (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide?
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 430.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 95761596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).