methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate

C17H22N2O4 — CID 95738407

IUPACmethyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H22N2O4/c1-11-4-6-12(7-5-11)16-13(8-9-14(20)19(16)2)17(22)18-10-15(21)23-3/h4-7,13,16H,8-10H2,1-3H3,(H,18,22)/t13-,16+/m0/s1
InChIKeyVZHLDMMLWDLLCG-XJKSGUPXSA-N
MW318.37 g/mol
LogP1.19
Rot. Bonds4

About methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate

methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate (PubChem CID 95738407) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
PubChem CID95738407
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC Namemethyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1
InChIInChI=1S/C17H22N2O4/c1-11-4-6-12(7-5-11)16-13(8-9-14(20)19(16)2)17(22)18-10-15(21)23-3/h4-7,13,16H,8-10H2,1-3H3,(H,18,22)/t13-,16+/m0/s1
InChIKeyVZHLDMMLWDLLCG-XJKSGUPXSA-N
XLogP1.19
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate 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)-N-ethyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 95738423
N-cyclohexyl-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 56730975
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-propylpiperidine-3-carboxamide
CID 97457717
(2R,3R)-N-(2-methoxyethyl)-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 97457190
(2S,3R)-N-methoxy-1-methyl-6-oxo-2-[4-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 96998691
(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxo-N-(1,3-thiazol-2-yl)piperidine-3-carboxamide
CID 95738379
(2R,3R)-N-[3-(dimethylamino)propyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740265
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 91954117
(2S,3R)-N-(furan-2-ylmethyl)-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740236
N-cyclopropyl-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 71689571
N-[2-[(dimethylamino)methyl]cyclohexyl]-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 110279185
(2R,3S)-N-[(2-fluorophenyl)methyl]-2-(4-methoxyphenyl)-1-methyl-6-oxopiperidine-3-carboxamide
CID 95740203

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate (CID 95738407) is methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate is COC(=O)CNC(=O)[C@H]1CCC(=O)N(C)[C@@H]1c1ccc(C)cc1.
What is the InChIKey of methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate?
The InChIKey is VZHLDMMLWDLLCG-XJKSGUPXSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11-4-6-12(7-5-11)16-13(8-9-14(20)19(16)2)17(22)18-10-15(21)23-3/h4-7,13,16H,8-10H2,1-3H3,(H,18,22)/t13-,16+/m0/s1.
What are the key properties of methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate?
methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate has a molecular weight of 318.37 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(2S,3S)-1-methyl-2-(4-methylphenyl)-6-oxopiperidine-3-carbonyl]amino]acetate is sourced from PubChem (CID 95738407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).