(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

C22H26N2O2 — CID 110086806

IUPAC(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-24-20(25)15-14-19(21(24)18-12-8-5-9-13-18)22(26)23(2)16-17-10-6-4-7-11-17/h4-13,19,21H,3,14-16H2,1-2H3/t19-,21+/m1/s1
InChIKeyGAPNDVZBENJBNX-CTNGQTDRSA-N
MW350.46 g/mol
LogP3.64
Rot. Bonds5

About (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide

(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 110086806) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID110086806
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC Name(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C22H26N2O2/c1-3-24-20(25)15-14-19(21(24)18-12-8-5-9-13-18)22(26)23(2)16-17-10-6-4-7-11-17/h4-13,19,21H,3,14-16H2,1-2H3/t19-,21+/m1/s1
InChIKeyGAPNDVZBENJBNX-CTNGQTDRSA-N
XLogP3.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-1-ethyl-N-[(4-fluorophenyl)methyl]-2-(4-methoxyphenyl)-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087370
(2R,3R)-1-ethyl-2-(2-fluorophenyl)-N-[(4-fluorophenyl)methyl]-N-methyl-6-oxopiperidine-3-carboxamide
CID 110087368
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
(2R,3R)-1-benzyl-6-oxo-2-phenyl-N,N-di(propan-2-yl)piperidine-3-carboxamide
CID 101404403
(2R,3R)-1-ethyl-N-(2-methoxyethyl)-N-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110087251
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-N,N-dimethyl-6-oxopiperidine-3-carboxamide
CID 110087313
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2R)-N-benzyl-1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-2-carboxamide
CID 7101881
2-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]-N,1-dimethyl-6-oxopiperidine-3-carboxamide
CID 155949173
(2R,3S)-N-benzyl-4-cyclopropyl-N-methyl-5-oxo-3-phenylmorpholine-2-carboxamide
CID 163336226
(2R,3S)-1-butyl-6-oxo-2-phenylpiperidine-3-carboxylate
CID 7094966

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 110086806) is (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)N(C)Cc2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is GAPNDVZBENJBNX-CTNGQTDRSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-3-24-20(25)15-14-19(21(24)18-12-8-5-9-13-18)22(26)23(2)16-17-10-6-4-7-11-17/h4-13,19,21H,3,14-16H2,1-2H3/t19-,21+/m1/s1.
What are the key properties of (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-benzyl-1-ethyl-N-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 110086806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).