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

C19H23ClN2O4 — CID 109140447

IUPACmethyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H23ClN2O4/c1-11-4-3-7-22(10-11)18(24)14-9-13(14)17(23)21-16-8-12(19(25)26-2)5-6-15(16)20/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,21,23)
InChIKeyIPEKTUAOKRPGQH-UHFFFAOYSA-N
MW378.86 g/mol
LogP2.96
Rot. Bonds4

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

methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109140447) has the molecular formula C19H23ClN2O4 and a molecular weight of 378.86 g/mol. Its IUPAC name is methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109140447
Molecular FormulaC19H23ClN2O4
Molecular Weight378.86 g/mol
Exact Mass378.13
IUPAC Namemethyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1
InChIInChI=1S/C19H23ClN2O4/c1-11-4-3-7-22(10-11)18(24)14-9-13(14)17(23)21-16-8-12(19(25)26-2)5-6-15(16)20/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,21,23)
InChIKeyIPEKTUAOKRPGQH-UHFFFAOYSA-N
XLogP2.96
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[(1-methylpiperidine-3-carbonyl)amino]benzoate
CID 110861816
N-(2,5-dimethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140395
methyl 4-chloro-3-[[5-(3-methylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
CID 109240868
methyl 4-chloro-3-[[1-(cyclopropanecarbonyl)piperidine-4-carbonyl]amino]benzoate
CID 55338664
methyl 4-chloro-3-[[1-(propan-2-ylcarbamoyl)piperidine-4-carbonyl]amino]benzoate
CID 113008037
methyl 4-chloro-3-[[6-(3-methylpiperidin-1-yl)pyridazine-3-carbonyl]amino]benzoate
CID 109125990
2-(3-methylpiperidine-1-carbonyl)-N-(2-phenoxyphenyl)cyclopropane-1-carboxamide
CID 109140472
methyl 4-chloro-3-[[1-(2,2-dimethylpropanoyl)piperidine-4-carbonyl]amino]benzoate
CID 18155717
N-(4-ethylphenyl)-2-(3-methylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140401
methyl 4-chloro-3-[[2-[(3-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109143912
methyl 4-chloro-3-[[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 109133766
methyl 4-chloro-3-[[2-(4-methoxyphenyl)cyclopropanecarbonyl]amino]benzoate
CID 84569184

Frequently Asked Questions

What is the IUPAC name of methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109140447) is methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccc(Cl)c(NC(=O)C2CC2C(=O)N2CCCC(C)C2)c1.
What is the InChIKey of methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is IPEKTUAOKRPGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4/c1-11-4-3-7-22(10-11)18(24)14-9-13(14)17(23)21-16-8-12(19(25)26-2)5-6-15(16)20/h5-6,8,11,13-14H,3-4,7,9-10H2,1-2H3,(H,21,23).
What are the key properties of methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 378.86 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-chloro-3-[[2-(3-methylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109140447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).