methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate

C11H20N2O3 — CID 63122388

IUPACmethyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H20N2O3/c1-11(4-7-12-8-5-11)10(15)13-6-3-9(14)16-2/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyHKFLRDCGRCDPMD-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.06
Rot. Bonds4

About methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate

methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate (PubChem CID 63122388) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
PubChem CID63122388
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CCNC(=O)C1(C)CCNCC1
InChIInChI=1S/C11H20N2O3/c1-11(4-7-12-8-5-11)10(15)13-6-3-9(14)16-2/h12H,3-8H2,1-2H3,(H,13,15)
InChIKeyHKFLRDCGRCDPMD-UHFFFAOYSA-N
XLogP0.06
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate 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

ethyl 4-[(4-methylpiperidine-4-carbonyl)amino]butanoate
CID 64576191
methyl 3-[(3-ethylpyrrolidine-3-carbonyl)amino]propanoate
CID 63141454
N-(4-hydroxybutyl)-4-methylpiperidine-4-carboxamide
CID 106842133
4-methyl-N-(3-methylsulfonylpropyl)piperidine-4-carboxamide
CID 63122628
N-(2-ethylsulfinylethyl)-4-methylpiperidine-4-carboxamide
CID 115760353
N-(3-methoxypropyl)-3-methylpyrrolidine-3-carboxamide
CID 63138395
ethyl 4-[(3-methylpyrrolidine-3-carbonyl)amino]butanoate
CID 64576192
4-methyl-N-(2-thiophen-3-ylethyl)piperidine-4-carboxamide
CID 63122358
N-[2-(dimethylamino)-2-oxoethyl]-4-methylpiperidine-4-carboxamide
CID 63121296
methyl 3-[(1-aminocyclohexanecarbonyl)amino]propanoate;hydrochloride
CID 119291127
4-methyl-N-(3-piperidin-1-ylpropyl)piperidine-4-carboxamide
CID 63121401
methyl 4-[[(4-methylpiperidine-4-carbonyl)amino]methyl]benzoate
CID 63122386

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate (CID 63122388) is methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate is COC(=O)CCNC(=O)C1(C)CCNCC1.
What is the InChIKey of methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate?
The InChIKey is HKFLRDCGRCDPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-11(4-7-12-8-5-11)10(15)13-6-3-9(14)16-2/h12H,3-8H2,1-2H3,(H,13,15).
What are the key properties of methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate?
methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate has a molecular weight of 228.29 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4-methylpiperidine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 63122388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).