methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate

C16H22N2O3 — CID 50875352

IUPACmethyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1C
InChIInChI=1S/C16H22N2O3/c1-11-13(16(20)21-3)5-4-6-14(11)17-15(19)12-7-9-18(2)10-8-12/h4-6,12H,7-10H2,1-3H3,(H,17,19)
InChIKeyRSWIFAZYZIZIBL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.06
Rot. Bonds3

About methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate

methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate (PubChem CID 50875352) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
PubChem CID50875352
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1C
InChIInChI=1S/C16H22N2O3/c1-11-13(16(20)21-3)5-4-6-14(11)17-15(19)12-7-9-18(2)10-8-12/h4-6,12H,7-10H2,1-3H3,(H,17,19)
InChIKeyRSWIFAZYZIZIBL-UHFFFAOYSA-N
XLogP2.06
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-(1,3-benzoxazol-2-yl)piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 24684211
methyl 3-[[1-[(3-ethoxyphenyl)methyl]piperidine-4-carbonyl]amino]-2-methylbenzoate
CID 43924414
N-[2-(azepane-1-carbonyl)phenyl]-1-methylpiperidine-4-carboxamide
CID 99970642
1-methyl-N-[2-(piperidine-1-carbonyl)phenyl]piperidine-4-carboxamide
CID 99817673
N-(3-carbamoyl-2-methylphenyl)-1-(cyclopropanecarbonyl)piperidine-4-carboxamide
CID 34571954
methyl 5-methyl-2-[(1-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 60921850
methyl 3-[[(3S)-1-[(4-fluorophenyl)methyl]piperidine-3-carbonyl]amino]-2-methylbenzoate
CID 93492164
methyl 2-[[1-[(2-methylphenyl)methyl]piperidine-4-carbonyl]amino]benzoate
CID 45007794
methyl 2-[[1-(3-methylbenzoyl)piperidine-4-carbonyl]amino]benzoate
CID 113007945
6-[(3-methoxycarbonyl-2-methylphenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 42950232
methyl 2-[[1-(naphthalene-1-carbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55430267
methyl 2-[(1-methylpiperidin-4-yl)amino]benzoate
CID 43139508

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate (CID 50875352) is methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)C2CCN(C)CC2)c1C.
What is the InChIKey of methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate?
The InChIKey is RSWIFAZYZIZIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11-13(16(20)21-3)5-4-6-14(11)17-15(19)12-7-9-18(2)10-8-12/h4-6,12H,7-10H2,1-3H3,(H,17,19).
What are the key properties of methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate?
methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[(1-methylpiperidine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 50875352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).