(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide

C25H32N2O2 — CID 101404403

IUPAC(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)C(C)C
InChIInChI=1S/C25H32N2O2/c1-18(2)27(19(3)4)25(29)22-15-16-23(28)26(17-20-11-7-5-8-12-20)24(22)21-13-9-6-10-14-21/h5-14,18-19,22,24H,15-17H2,1-4H3/t22-,24+/m1/s1
InChIKeyGBULRWRVEFGKRL-VWNXMTODSA-N
MW392.54 g/mol
LogP4.81
Rot. Bonds6

About (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide

(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide (PubChem CID 101404403) has the molecular formula C25H32N2O2 and a molecular weight of 392.54 g/mol. Its IUPAC name is (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
PubChem CID101404403
Molecular FormulaC25H32N2O2
Molecular Weight392.54 g/mol
Exact Mass392.25
IUPAC Name(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
SMILESCC(C)N(C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)C(C)C
InChIInChI=1S/C25H32N2O2/c1-18(2)27(19(3)4)25(29)22-15-16-23(28)26(17-20-11-7-5-8-12-20)24(22)21-13-9-6-10-14-21/h5-14,18-19,22,24H,15-17H2,1-4H3/t22-,24+/m1/s1
InChIKeyGBULRWRVEFGKRL-VWNXMTODSA-N
XLogP4.81
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.54
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1-benzyl-6-oxo-2-(4-propan-2-ylphenyl)piperidine-3-carboxylic acid
CID 40800623
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 110086806
(5R,6R)-1-benzyl-5-(morpholine-4-carbonyl)-6-phenylpiperidin-2-one
CID 94582684
1-benzyl-N-[3-(methylamino)propyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119429433
1-benzyl-6-phenyl-5-(piperazine-1-carbonyl)piperidin-2-one;hydrochloride
CID 119400053
4-[(1-benzyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]butanoic acid
CID 119170729
1-benzyl-6-oxo-2-phenyl-N-(pyrrolidin-2-ylmethyl)piperidine-3-carboxamide
CID 119509741
1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 4025878
1-benzyl-N-[4-(tert-butylcarbamoyl)phenyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 47060248
1-benzyl-N-[(2,5-dimethylfuran-3-yl)methyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 86950512
(2S,3R)-1-benzyl-N-[2-(4-fluorophenyl)ethyl]-6-oxo-2-phenylpiperidine-3-carboxamide
CID 95761596
(2S,3R)-1-benzyl-5-oxo-2-phenylpyrrolidine-3-carboxylate
CID 7784530

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide?
The IUPAC name of (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide (CID 101404403) is (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide is CC(C)N(C(=O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1)C(C)C.
What is the InChIKey of (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide?
The InChIKey is GBULRWRVEFGKRL-VWNXMTODSA-N. The full InChI is InChI=1S/C25H32N2O2/c1-18(2)27(19(3)4)25(29)22-15-16-23(28)26(17-20-11-7-5-8-12-20)24(22)21-13-9-6-10-14-21/h5-14,18-19,22,24H,15-17H2,1-4H3/t22-,24+/m1/s1.
What are the key properties of (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide?
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide has a molecular weight of 392.54 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 101404403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).