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

C19H23N3O5 — CID 109134760

IUPACmethyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H23N3O5/c1-12(23)21-6-8-22(9-7-21)18(25)16-11-15(16)17(24)20-14-5-3-4-13(10-14)19(26)27-2/h3-5,10,15-16H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyCQNLLFMNLTZXSF-UHFFFAOYSA-N
MW373.41 g/mol
LogP0.74
Rot. Bonds4

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

methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 109134760) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID109134760
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Namemethyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(C(C)=O)CC2)c1
InChIInChI=1S/C19H23N3O5/c1-12(23)21-6-8-22(9-7-21)18(25)16-11-15(16)17(24)20-14-5-3-4-13(10-14)19(26)27-2/h3-5,10,15-16H,6-9,11H2,1-2H3,(H,20,24)
InChIKeyCQNLLFMNLTZXSF-UHFFFAOYSA-N
XLogP0.74
TPSA96.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[[2-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109132315
methyl 3-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109137549
N-(3-acetylphenyl)-2-(4-ethylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109134431
N-(3-acetylphenyl)-2-(4-phenylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109138446
methyl 3-[[2-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109140336
methyl 3-[[2-(diethylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 109139360
2-(4-formylpiperazine-1-carbonyl)-N-(3-methoxyphenyl)cyclopropane-1-carboxamide
CID 109134584
2-(azepane-1-carbonyl)-N-(3-bromophenyl)cyclopropane-1-carboxamide
CID 109140751
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
methyl 4-[[2-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 109138800
2-(4-acetylpiperazine-1-carbonyl)-N-[4-(dimethylamino)phenyl]cyclopropane-1-carboxamide
CID 109134762
N-(3-chlorophenyl)-2-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 109131903

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 109134760) is methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1cccc(NC(=O)C2CC2C(=O)N2CCN(C(C)=O)CC2)c1.
What is the InChIKey of methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is CQNLLFMNLTZXSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-12(23)21-6-8-22(9-7-21)18(25)16-11-15(16)17(24)20-14-5-3-4-13(10-14)19(26)27-2/h3-5,10,15-16H,6-9,11H2,1-2H3,(H,20,24).
What are the key properties of methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 373.41 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(4-acetylpiperazine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 109134760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).