methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate

C15H18N2O4 — CID 112729169

IUPACmethyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(=O)NC2)c(C)c1
InChIInChI=1S/C15H18N2O4/c1-9-7-10(15(20)21-2)3-5-12(9)17-14(19)11-4-6-13(18)16-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHKBYPSYYWHFGIZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.25
Rot. Bonds3

About methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate

methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate (PubChem CID 112729169) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
PubChem CID112729169
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Namemethyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCC(=O)NC2)c(C)c1
InChIInChI=1S/C15H18N2O4/c1-9-7-10(15(20)21-2)3-5-12(9)17-14(19)11-4-6-13(18)16-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyHKBYPSYYWHFGIZ-UHFFFAOYSA-N
XLogP1.25
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
N-(2-methyl-5-methylsulfonylphenyl)-6-oxopiperidine-3-carboxamide
CID 76873147
N-(2-methyl-4-propan-2-yloxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78982066
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
N-(2-methyl-5-sulfamoylphenyl)-6-oxopiperidine-3-carboxamide
CID 76891188
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729067
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
CID 114423164
N-(4-carbamoyl-2-methylphenyl)pyrrolidine-3-carboxamide
CID 63007219
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate (CID 112729169) is methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)C2CCC(=O)NC2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The InChIKey is HKBYPSYYWHFGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-9-7-10(15(20)21-2)3-5-12(9)17-14(19)11-4-6-13(18)16-8-11/h3,5,7,11H,4,6,8H2,1-2H3,(H,16,18)(H,17,19).
What are the key properties of methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 112729169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).