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

C20H26N2O4 — CID 109140336

IUPACmethyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C20H26N2O4/c1-3-15-9-4-5-10-22(15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(11-14)20(25)26-2/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3,(H,21,23)
InChIKeyOMGQQDFDDXEIQM-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.84
Rot. Bonds5

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

methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109140336) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109140336
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Namemethyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1
InChIInChI=1S/C20H26N2O4/c1-3-15-9-4-5-10-22(15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(11-14)20(25)26-2/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3,(H,21,23)
InChIKeyOMGQQDFDDXEIQM-UHFFFAOYSA-N
XLogP2.84
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-ethylpiperidine-1-carbonyl)-N-(3-fluorophenyl)cyclopropane-1-carboxamide
CID 109140348
methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109134760
2-(2-ethylpiperidine-1-carbonyl)-N-(4-piperidin-1-ylphenyl)cyclopropane-1-carboxamide
CID 109140342
N-[2,6-di(propan-2-yl)phenyl]-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140356
N-(4-cyanophenyl)-2-(2-ethylpiperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109140375
[2-[(2S)-2-ethylpiperidin-1-yl]-2-oxoethyl] 3-acetamidobenzoate
CID 7842559
2-(2-ethylpiperidine-1-carbonyl)-N-(2-fluorophenyl)cyclopropane-1-carboxamide
CID 109140302
methyl 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109137549
methyl 3-[[(2R)-1-carbamoylpiperidine-2-carbonyl]amino]benzoate
CID 95974055
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
N-(3-acetylphenyl)-2-ethylpiperidine-1-carbothioamide
CID 19654734

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109140336) is methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is CCC1CCCCN1C(=O)C1CC1C(=O)Nc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is OMGQQDFDDXEIQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-15-9-4-5-10-22(15)19(24)17-12-16(17)18(23)21-14-8-6-7-13(11-14)20(25)26-2/h6-8,11,15-17H,3-5,9-10,12H2,1-2H3,(H,21,23).
What are the key properties of methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 358.44 g/mol, XLogP of 2.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109140336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).