methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate

C15H20N2O3 — CID 120616157

IUPACmethyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(7-8-16-10)14(18)17-13-5-3-11(4-6-13)15(19)20-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18)/t10-,12-/m0/s1
InChIKeyGKHCMSINOQBOFB-JQWIXIFHSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds3

About methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate

methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate (PubChem CID 120616157) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
PubChem CID120616157
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1
InChIInChI=1S/C15H20N2O3/c1-10-9-12(7-8-16-10)14(18)17-13-5-3-11(4-6-13)15(19)20-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18)/t10-,12-/m0/s1
InChIKeyGKHCMSINOQBOFB-JQWIXIFHSA-N
XLogP1.80
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate 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

methyl N-[4-[(2-methylpiperidine-4-carbonyl)amino]phenyl]carbamate
CID 106739126
(2S,4S)-N-[4-(cyclopropanecarbonylamino)phenyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120619530
(2S,4S)-2-methyl-N-[4-(methylcarbamoyl)phenyl]piperidine-4-carboxamide
CID 120632144
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
(2S,4S)-N-[4-(cyclopropylcarbamoyl)phenyl]-2-methylpiperidine-4-carboxamide
CID 120619355
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 106739738
N-(4-cyanophenyl)-2-methylpiperidine-4-carboxamide
CID 106738623
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide
CID 120616359
(2S,4S)-N-[4-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperidine-4-carboxamide
CID 120630872
(2S,4S)-2-methyl-N-(4-propan-2-ylphenyl)piperidine-4-carboxamide;hydrochloride
CID 120616358
N-(4-fluoro-3-methoxyphenyl)-2-methylpiperidine-4-carboxamide
CID 106740759

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate (CID 120616157) is methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)[C@H]2CCN[C@@H](C)C2)cc1.
What is the InChIKey of methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
The InChIKey is GKHCMSINOQBOFB-JQWIXIFHSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-12(7-8-16-10)14(18)17-13-5-3-11(4-6-13)15(19)20-2/h3-6,10,12,16H,7-9H2,1-2H3,(H,17,18)/t10-,12-/m0/s1.
What are the key properties of methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate?
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 120616157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).