methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate

C16H22N2O3 — CID 107067304

IUPACmethyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1NCCCC1C
InChIInChI=1S/C16H22N2O3/c1-10-6-7-13(12(9-10)16(20)21-3)18-15(19)14-11(2)5-4-8-17-14/h6-7,9,11,14,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyKCPBIILEQJOYMU-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds3

About methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate

methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate (PubChem CID 107067304) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
PubChem CID107067304
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1cc(C)ccc1NC(=O)C1NCCCC1C
InChIInChI=1S/C16H22N2O3/c1-10-6-7-13(12(9-10)16(20)21-3)18-15(19)14-11(2)5-4-8-17-14/h6-7,9,11,14,17H,4-5,8H2,1-3H3,(H,18,19)
InChIKeyKCPBIILEQJOYMU-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

5-methyl-2-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102778964
ethyl 2-[(3-methylpiperidine-2-carbonyl)amino]benzoate
CID 107067999
methyl 5-methyl-2-(pyrrolidine-3-carbonylamino)benzoate
CID 55149872
5-iodo-2-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107068158
ethane;methyl 5-methyl-2-[(4-methylcyclohexanecarbonyl)amino]benzoate
CID 143625975
N-(4-fluoro-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 62339106
N-(4-chloro-2-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 107625589
3-methyl-N-(2,4,6-trimethylphenyl)piperidine-2-carboxamide
CID 62340619
3-methyl-N-(4-methyl-2-pyridinyl)piperidine-2-carboxamide
CID 107067167
N-(5-iodo-2-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 114257371
methyl 2-(cyclopent-3-ene-1-carbonylamino)-5-methylbenzoate
CID 64767203
methyl 5-chloro-2-[[(2R)-pyrrolidine-2-carbonyl]amino]benzoate
CID 66680324

Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate (CID 107067304) is methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate is COC(=O)c1cc(C)ccc1NC(=O)C1NCCCC1C.
What is the InChIKey of methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
The InChIKey is KCPBIILEQJOYMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-6-7-13(12(9-10)16(20)21-3)18-15(19)14-11(2)5-4-8-17-14/h6-7,9,11,14,17H,4-5,8H2,1-3H3,(H,18,19).
What are the key properties of methyl 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate?
methyl 5-methyl-2-[(3-methylpiperidine-2-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 5-methyl-2-[(3-methylpiperidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 107067304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).