methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate

C16H22N2O3 — CID 109006552

IUPACmethyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H22N2O3/c1-12-6-5-9-18(11-12)15(19)10-17-14-8-4-3-7-13(14)16(20)21-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyAFJUXVMLHQYUTQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.14
Rot. Bonds4

About methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate

methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate (PubChem CID 109006552) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
PubChem CID109006552
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Namemethyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NCC(=O)N1CCCC(C)C1
InChIInChI=1S/C16H22N2O3/c1-12-6-5-9-18(11-12)15(19)10-17-14-8-4-3-7-13(14)16(20)21-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3
InChIKeyAFJUXVMLHQYUTQ-UHFFFAOYSA-N
XLogP2.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate with MolForge

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Related Compounds

2-(2-iodoanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 55434759
2-(2-chloroanilino)-1-(3-methylpiperidin-1-yl)ethanone
CID 78782428
2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 43037378
methyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]benzoate
CID 37471919
1-(3-methylpiperidin-1-yl)-2-[2-(trifluoromethyl)anilino]ethanone
CID 109006548
2-[2-(4-hydroxypiperidin-1-yl)anilino]-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 94631571
4-chloro-N-[2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]phenyl]benzamide
CID 55898345
2-[2-[[cyclohexyl(methyl)amino]methyl]anilino]-1-(3-methylpiperidin-1-yl)ethanone
CID 55345437
[2-(3-methylpiperidin-1-yl)-2-oxoethyl] 2-(furan-2-ylmethylamino)benzoate
CID 18075616
3-(2-methoxyanilino)-1-(3-methylpiperidin-1-yl)propan-1-one
CID 109032853
methyl 2-[[6-(3-methylpiperidine-1-carbonyl)pyridazin-3-yl]amino]benzoate
CID 109126092
2-(3,5-dimethoxyanilino)-1-[(3S)-3-methylpiperidin-1-yl]ethanone
CID 51726355

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate (CID 109006552) is methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate is COC(=O)c1ccccc1NCC(=O)N1CCCC(C)C1.
What is the InChIKey of methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate?
The InChIKey is AFJUXVMLHQYUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-12-6-5-9-18(11-12)15(19)10-17-14-8-4-3-7-13(14)16(20)21-2/h3-4,7-8,12,17H,5-6,9-11H2,1-2H3.
What are the key properties of methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate?
methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate has a molecular weight of 290.36 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methylpiperidin-1-yl)-2-oxoethyl]amino]benzoate is sourced from PubChem (CID 109006552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).