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

C16H22N2O3 — CID 114423164

IUPACmethyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(C)CCN2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-6-7-17-14(8-10)15(19)18-13-5-4-12(9-11(13)2)16(20)21-3/h4-5,9-10,14,17H,6-8H2,1-3H3,(H,18,19)
InChIKeyZGMPHDBCPYLYET-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.11
Rot. Bonds3

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

methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate (PubChem CID 114423164) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
PubChem CID114423164
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2CC(C)CCN2)c(C)c1
InChIInChI=1S/C16H22N2O3/c1-10-6-7-17-14(8-10)15(19)18-13-5-4-12(9-11(13)2)16(20)21-3/h4-5,9-10,14,17H,6-8H2,1-3H3,(H,18,19)
InChIKeyZGMPHDBCPYLYET-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

methyl 3-methyl-4-(piperidine-2-carbonylamino)benzoate
CID 43712698
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
5-methoxy-2-[(4-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 114424357
methyl 4-methyl-3-[[(2S,4S)-2-methylpiperidine-4-carbonyl]amino]benzoate;hydrochloride
CID 120616964
N-(2-ethoxy-4-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423253
methyl 4-methyl-3-[(3-methylpyrrolidine-2-carbonyl)amino]benzoate
CID 102777692
N-(4-methoxy-2-nitrophenyl)-4-methylpiperidine-2-carboxamide
CID 114423073
methyl 3-[(4-methoxypyrrolidine-2-carbonyl)amino]-4-methylbenzoate
CID 61213741
N-(3,4-dimethoxyphenyl)-4-methylpiperidine-2-carboxamide
CID 114422606
methyl 4-(cyclohex-3-ene-1-carbonylamino)-3-methylbenzoate
CID 42941653
N-(5-chloro-2-cyanophenyl)-4-methylpiperidine-2-carboxamide
CID 114422973
methyl 3-methyl-4-[(6-oxopiperidine-3-carbonyl)amino]benzoate
CID 112729169

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate (CID 114423164) is methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)C2CC(C)CCN2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate?
The InChIKey is ZGMPHDBCPYLYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-10-6-7-17-14(8-10)15(19)18-13-5-4-12(9-11(13)2)16(20)21-3/h4-5,9-10,14,17H,6-8H2,1-3H3,(H,18,19).
What are the key properties of methyl 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate?
methyl 3-methyl-4-[(4-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 3-methyl-4-[(4-methylpiperidine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 114423164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).