(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

C19H27ClN2O3 — CID 110087336

IUPAC(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-4-22-16(24)9-8-15(18(25)21-11-19(2,3)12-23)17(22)13-6-5-7-14(20)10-13/h5-7,10,15,17,23H,4,8-9,11-12H2,1-3H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyWRDFXALMCBFYCP-WBVHZDCISA-N
MW366.89 g/mol
LogP2.77
Rot. Bonds6

About (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (PubChem CID 110087336) has the molecular formula C19H27ClN2O3 and a molecular weight of 366.89 g/mol. Its IUPAC name is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
PubChem CID110087336
Molecular FormulaC19H27ClN2O3
Molecular Weight366.89 g/mol
Exact Mass366.17
IUPAC Name(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide
SMILESCCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1cccc(Cl)c1
InChIInChI=1S/C19H27ClN2O3/c1-4-22-16(24)9-8-15(18(25)21-11-19(2,3)12-23)17(22)13-6-5-7-14(20)10-13/h5-7,10,15,17,23H,4,8-9,11-12H2,1-3H3,(H,21,25)/t15-,17+/m1/s1
InChIKeyWRDFXALMCBFYCP-WBVHZDCISA-N
XLogP2.77
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(oxan-4-ylmethyl)-6-oxopiperidine-3-carboxamide
CID 175656743
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[(2-methylpyrazol-3-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087513
(2R,3R)-2-(3-chlorophenyl)-N,1-diethyl-N-methyl-6-oxopiperidine-3-carboxamide
CID 110090490
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-[2-(5-methylpyrazol-1-yl)ethyl]-6-oxopiperidine-3-carboxamide
CID 110087409
N-(2-amino-2-methylpropyl)-2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 119628158
(2R,3R)-N-benzyl-2-(2-chlorophenyl)-1-ethyl-6-oxopiperidine-3-carboxamide
CID 110086831
(2R,3R)-2-(4-chlorophenyl)-1-ethyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6-oxopiperidine-3-carboxamide
CID 110087607
(2S,3R)-2-(3-chlorophenyl)-1-methyl-6-oxopiperidine-3-carboxylic acid
CID 95358886
2-[3-(difluoromethyl)phenyl]-1-ethyl-6-oxopiperidine-3-carboxylic acid
CID 115528867
(2R,3R)-2-(2-chlorophenyl)-1-ethyl-6-oxo-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110086759
(2R,3R)-1-ethyl-2-(4-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-3-carboxamide
CID 127244533
4-[[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]amino]methyl]benzoic acid
CID 119165542

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide (CID 110087336) is (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is CCN1C(=O)CC[C@@H](C(=O)NCC(C)(C)CO)[C@@H]1c1cccc(Cl)c1.
What is the InChIKey of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is WRDFXALMCBFYCP-WBVHZDCISA-N. The full InChI is InChI=1S/C19H27ClN2O3/c1-4-22-16(24)9-8-15(18(25)21-11-19(2,3)12-23)17(22)13-6-5-7-14(20)10-13/h5-7,10,15,17,23H,4,8-9,11-12H2,1-3H3,(H,21,25)/t15-,17+/m1/s1.
What are the key properties of (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide?
(2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3-chlorophenyl)-1-ethyl-N-(3-hydroxy-2,2-dimethylpropyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 110087336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).