methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate

C18H22N2O4 — CID 109132315

IUPACmethyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H22N2O4/c1-24-18(23)12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-2-4-9-20/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H,19,21)
InChIKeyAHUNGTTVZWSUDB-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.06
Rot. Bonds4

About methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate

methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109132315) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109132315
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCCCC2)c1
InChIInChI=1S/C18H22N2O4/c1-24-18(23)12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-2-4-9-20/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H,19,21)
InChIKeyAHUNGTTVZWSUDB-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
methyl 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109137549
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
2-(azepane-1-carbonyl)-N-phenylcyclopropane-1-carboxamide
CID 109140677
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903
methyl 3-(pyrrolidine-1-carbonylamino)benzoate
CID 39732853
2-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 109140728
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
methyl 3-[[4-(azepane-1-carbonyl)benzoyl]amino]benzoate
CID 109049175

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109132315) is methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCCCC2)c1.
What is the InChIKey of methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is AHUNGTTVZWSUDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-18(23)12-6-5-7-13(10-12)19-16(21)14-11-15(14)17(22)20-8-3-2-4-9-20/h5-7,10,14-15H,2-4,8-9,11H2,1H3,(H,19,21).
What are the key properties of methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 330.38 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109132315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).