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

C16H22N2O3 — CID 63130618

IUPACmethyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(C)CCCNC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-9-12(14(19)21-3)5-6-13(11)18-15(20)16(2)7-4-8-17-10-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeySGLYUPLSEUVJSX-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds3

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

methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate (PubChem CID 63130618) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
PubChem CID63130618
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2(C)CCCNC2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-11-9-12(14(19)21-3)5-6-13(11)18-15(20)16(2)7-4-8-17-10-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20)
InChIKeySGLYUPLSEUVJSX-UHFFFAOYSA-N
XLogP2.11
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxy-2,4-dimethylphenyl)-3-methylpiperidine-3-carboxamide
CID 63130077
N-(4-fluoro-2-methoxyphenyl)-3-methylpiperidine-3-carboxamide
CID 55166819
N-(2,5-dichloro-4-methylphenyl)-3-methylpiperidine-3-carboxamide
CID 104727176
N-(2,4-dimethyl-5-nitrophenyl)-3-methylpiperidine-3-carboxamide
CID 104757822
3-methyl-N-(5,6,7,8-tetrahydronaphthalen-1-yl)piperidine-3-carboxamide;hydrochloride
CID 119943653
5-chloro-2-[(3-methylpiperidine-3-carbonyl)amino]benzoic acid
CID 63131916
3-ethyl-N-(4-methoxy-2-methylphenyl)piperidine-3-carboxamide
CID 63132813
N-(4-bromo-2,3-dichlorophenyl)-3-methylpiperidine-3-carboxamide
CID 107790194
3-methyl-N-(2-methyl-3-pyridinyl)piperidine-3-carboxamide
CID 79043969
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-3-carboxamide
CID 63130698
3-methyl-N-(2-methylphenyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119670460
N-(4-methoxyphenyl)-3-methylpiperidine-3-carboxamide;hydrochloride
CID 119943571

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate (CID 63130618) is methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)C2(C)CCCNC2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate?
The InChIKey is SGLYUPLSEUVJSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-9-12(14(19)21-3)5-6-13(11)18-15(20)16(2)7-4-8-17-10-16/h5-6,9,17H,4,7-8,10H2,1-3H3,(H,18,20).
What are the key properties of methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate?
methyl 3-methyl-4-[(3-methylpiperidine-3-carbonyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.11, 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-[(3-methylpiperidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 63130618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).