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

C16H22N2O3 — CID 106739738

IUPACmethyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(7-8-17-11)15(19)18-10-12-3-5-13(6-4-12)16(20)21-2/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyQQPHUARRLMDXTB-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.48
Rot. Bonds4

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

methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate (PubChem CID 106739738) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
PubChem CID106739738
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate
SMILESCOC(=O)c1ccc(CNC(=O)C2CCNC(C)C2)cc1
InChIInChI=1S/C16H22N2O3/c1-11-9-14(7-8-17-11)15(19)18-10-12-3-5-13(6-4-12)16(20)21-2/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,19)
InChIKeyQQPHUARRLMDXTB-UHFFFAOYSA-N
XLogP1.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(4-bromophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106738652
(2S,4S)-N-benzyl-2-methylpiperidine-4-carboxamide
CID 120616011
N-benzyl-2-methylpiperidine-4-carboxamide
CID 106738530
(2S,4S)-N-[(4-acetamidophenyl)methyl]-2-methylpiperidine-4-carboxamide
CID 120619607
(2S,4S)-2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 120619401
methyl 4-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate
CID 120616157
2-methyl-N-[(4-nitrophenyl)methyl]piperidine-4-carboxamide
CID 106739170
(2S,4S)-N-[[4-(azepan-1-ylmethyl)phenyl]methyl]-2-methylpiperidine-4-carboxamide
CID 120634706
methyl 4-[[[(3R)-piperidine-3-carbonyl]amino]methyl]benzoate
CID 81139605
methyl 4-[[(9-oxobicyclo[3.3.1]nonane-3-carbonyl)amino]methyl]benzoate
CID 18084141
(2S,4S)-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120632254
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The IUPAC name of methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate (CID 106739738) is methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The canonical SMILES for methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate is COC(=O)c1ccc(CNC(=O)C2CCNC(C)C2)cc1.
What is the InChIKey of methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
The InChIKey is QQPHUARRLMDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-14(7-8-17-11)15(19)18-10-12-3-5-13(6-4-12)16(20)21-2/h3-6,11,14,17H,7-10H2,1-2H3,(H,18,19).
What are the key properties of methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate?
methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate has a molecular weight of 290.36 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[(2-methylpiperidine-4-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 106739738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).