methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate

C15H20N2O3 — CID 43712698

IUPACmethyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCN2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-9-11(15(19)20-2)6-7-12(10)17-14(18)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeySCTQTHWRRRZENE-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.86
Rot. Bonds3

About methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate

methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate (PubChem CID 43712698) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
PubChem CID43712698
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Namemethyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CCCCN2)c(C)c1
InChIInChI=1S/C15H20N2O3/c1-10-9-11(15(19)20-2)6-7-12(10)17-14(18)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,18)
InChIKeySCTQTHWRRRZENE-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-fluoro-3-[[(2S)-piperidine-2-carbonyl]amino]benzoate
CID 103920674
methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
CID 114423164
(2R)-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 154915135
(2R)-N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide
CID 92930229
methyl 2-[3-methyl-4-(piperidine-2-carbonylamino)phenoxy]acetate
CID 119299818
N-(4-methoxy-2-methylphenyl)pyrrolidine-2-carboxamide;hydrochloride
CID 119281659
N-[2-methyl-4-(2-methylpropylcarbamoyl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119310041
(2R)-N-(4-acetamido-3-methylphenyl)piperidine-2-carboxamide
CID 103808431
N-(2-methyl-4-nitrophenyl)piperidine-2-carboxamide
CID 43708505
dimethyl 5-(piperidine-2-carbonylamino)benzene-1,3-dicarboxylate;hydrochloride
CID 119263110
(2S)-N-(4-hydroxy-2,5-dimethylphenyl)piperidine-2-carboxamide
CID 106954490
N-(2,4,5-trimethylphenyl)pyrrolidine-2-carboxamide
CID 82495828

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate?
The IUPAC name of methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate (CID 43712698) is methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate.
What is the SMILES notation for methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate?
The canonical SMILES for methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate is COC(=O)c1ccc(NC(=O)C2CCCCN2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate?
The InChIKey is SCTQTHWRRRZENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-9-11(15(19)20-2)6-7-12(10)17-14(18)13-5-3-4-8-16-13/h6-7,9,13,16H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate?
methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate has a molecular weight of 276.34 g/mol, XLogP of 1.86, 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-(piperidine-2-carbonylamino)benzoate is sourced from PubChem (CID 43712698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).