methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate

C21H22N2O4 — CID 29138864

IUPACmethyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-23-18(24)13-12-17(19(23)14-6-4-3-5-7-14)20(25)22-16-10-8-15(9-11-16)21(26)27-2/h3-11,17,19H,12-13H2,1-2H3,(H,22,25)/t17-,19?/m0/s1
InChIKeyUFPATDRYXDSQLL-KKFHFHRHSA-N
MW366.42 g/mol
LogP3.02
Rot. Bonds4

About methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate

methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate (PubChem CID 29138864) has the molecular formula C21H22N2O4 and a molecular weight of 366.42 g/mol. Its IUPAC name is methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
PubChem CID29138864
Molecular FormulaC21H22N2O4
Molecular Weight366.42 g/mol
Exact Mass366.16
IUPAC Namemethyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)C2c2ccccc2)cc1
InChIInChI=1S/C21H22N2O4/c1-23-18(24)13-12-17(19(23)14-6-4-3-5-7-14)20(25)22-16-10-8-15(9-11-16)21(26)27-2/h3-11,17,19H,12-13H2,1-2H3,(H,22,25)/t17-,19?/m0/s1
InChIKeyUFPATDRYXDSQLL-KKFHFHRHSA-N
XLogP3.02
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate with MolForge

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Related Compounds

ethyl 4-[(1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl)amino]benzoate
CID 42652876
propyl 4-[[(2S,3R)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate
CID 29135302
(2S,3R)-N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29132160
N-(4-methoxyphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651543
N-(4-chlorophenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 42651157
(2R,3S)-2-(4-fluorophenyl)-1-methyl-6-oxo-N-phenylpiperidine-3-carboxamide
CID 97457685
(2R,3S)-N-(4-acetylphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29132676
ethyl 4-[[(2R,3S)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 28935183
N-(2H-benzotriazol-5-yl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 122137918
(2R,3R)-N-(2,6-diethylphenyl)-1-methyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 29131437
N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42651384
(2R,3S)-N-(4-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29131499

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate (CID 29138864) is methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@H]2CCC(=O)N(C)C2c2ccccc2)cc1.
What is the InChIKey of methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
The InChIKey is UFPATDRYXDSQLL-KKFHFHRHSA-N. The full InChI is InChI=1S/C21H22N2O4/c1-23-18(24)13-12-17(19(23)14-6-4-3-5-7-14)20(25)22-16-10-8-15(9-11-16)21(26)27-2/h3-11,17,19H,12-13H2,1-2H3,(H,22,25)/t17-,19?/m0/s1.
What are the key properties of methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate?
methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate has a molecular weight of 366.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S,3S)-1-methyl-6-oxo-2-phenylpiperidine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 29138864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).