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

C15H20N2O3 — CID 63121892

IUPACmethyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(19)17-12-6-4-3-5-11(12)13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyPSCWJNQRHPPNQR-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.80
Rot. Bonds3

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

methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate (PubChem CID 63121892) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
PubChem CID63121892
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C)CCNCC1
InChIInChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(19)17-12-6-4-3-5-11(12)13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19)
InChIKeyPSCWJNQRHPPNQR-UHFFFAOYSA-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

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Related Compounds

methyl 4-chloro-2-[(3-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63139636
4-methyl-N-[2-(trifluoromethylsulfanyl)phenyl]piperidine-4-carboxamide
CID 63121910
4-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-4-carboxamide
CID 63121470
4-methoxy-2-[(4-methylpiperidine-4-carbonyl)amino]benzoic acid
CID 115411549
methyl 2-[[(1S,4R)-4,7,7-trimethyl-2,3-dioxobicyclo[2.2.1]heptane-1-carbonyl]amino]benzoate
CID 50938495
N-(2-bromophenyl)-3-methylpyrrolidine-3-carboxamide
CID 63141111
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
methyl 2-[[1-(2-fluorophenyl)cyclopropanecarbonyl]amino]benzoate
CID 110424094
methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
methyl 5-methyl-2-[(1-methylcyclopentanecarbonyl)amino]benzoate
CID 112729549
N-(5-chloro-2-methoxyphenyl)-4-methylpiperidine-4-carboxamide
CID 55179477
2-methyl-3-[(3-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63139755

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate (CID 63121892) is methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(C)CCNCC1.
What is the InChIKey of methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate?
The InChIKey is PSCWJNQRHPPNQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(7-9-16-10-8-15)14(19)17-12-6-4-3-5-11(12)13(18)20-2/h3-6,16H,7-10H2,1-2H3,(H,17,19).
What are the key properties of methyl 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate?
methyl 2-[(4-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 2-[(4-methylpiperidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 63121892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).