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

C23H28N2O2 — CID 29131437

IUPAC(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-4-16-12-9-13-17(5-2)21(16)24-23(27)19-14-15-20(26)25(3)22(19)18-10-7-6-8-11-18/h6-13,19,22H,4-5,14-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1
InChIKeyHLFISSGDOSZDSK-KNQAVFIVSA-N
MW364.49 g/mol
LogP4.36
Rot. Bonds5

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

(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (PubChem CID 29131437) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
PubChem CID29131437
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC Name(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
SMILESCCc1cccc(CC)c1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1
InChIInChI=1S/C23H28N2O2/c1-4-16-12-9-13-17(5-2)21(16)24-23(27)19-14-15-20(26)25(3)22(19)18-10-7-6-8-11-18/h6-13,19,22H,4-5,14-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1
InChIKeyHLFISSGDOSZDSK-KNQAVFIVSA-N
XLogP4.36
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
N-(2-aminoethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide;hydrochloride
CID 119383801
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29138864
propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29135302
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 122137918
N-(furan-2-ylmethyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 56730502
(2R)-4-methyl-2-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]pentanoic acid
CID 119364584
2-(3-fluorophenyl)-1-methyl-6-oxo-N-(1,3,5-trimethylpyrazol-4-yl)piperidine-3-carboxamide
CID 71689521
(2R,3S)-2-(4-fluorophenyl)-N-[(2-fluorophenyl)methyl]-1-methyl-6-oxopiperidine-3-carboxamide
CID 97457673

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide (CID 29131437) is (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is CCc1cccc(CC)c1NC(=O)[C@@H]1CCC(=O)N(C)[C@H]1c1ccccc1.
What is the InChIKey of (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
The InChIKey is HLFISSGDOSZDSK-KNQAVFIVSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-4-16-12-9-13-17(5-2)21(16)24-23(27)19-14-15-20(26)25(3)22(19)18-10-7-6-8-11-18/h6-13,19,22H,4-5,14-15H2,1-3H3,(H,24,27)/t19-,22+/m1/s1.
What are the key properties of (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide?
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 29131437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).