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

C18H22N2O4 — CID 108972080

IUPACmethyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H22N2O4/c1-24-15(21)13-7-3-4-8-14(13)19-16(22)18(9-10-18)17(23)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyVXSPZTDKJIUHMS-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.20
Rot. Bonds4

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

methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (PubChem CID 108972080) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
PubChem CID108972080
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Namemethyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCCCC2)CC1
InChIInChI=1S/C18H22N2O4/c1-24-15(21)13-7-3-4-8-14(13)19-16(22)18(9-10-18)17(23)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22)
InChIKeyVXSPZTDKJIUHMS-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromophenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972096
ethyl 2-[[1-(morpholine-4-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108973205
methyl 4-chloro-3-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108972083
methyl 2-[[1-[benzyl(methyl)carbamoyl]cyclopropanecarbonyl]amino]benzoate
CID 108975598
1-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)cyclopropane-1-carboxamide
CID 108974347
N-(3-methoxyphenyl)-1-(piperidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972063
N-(4-methoxyphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971682
methyl 2-[(2-piperidin-1-ylacetyl)amino]benzoate
CID 892472
ethyl 2-[[1-(2-ethylpiperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate
CID 108980112
methyl 2-[[1-(pentylcarbamoyl)cyclopropanecarbonyl]amino]benzoate
CID 108979812
N-(2,5-dimethylphenyl)-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108971649
1-(azepane-1-carbonyl)-N-(4-chloro-2-methylphenyl)cyclopropane-1-carboxamide
CID 108980445

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate (CID 108972080) is methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)C1(C(=O)N2CCCCC2)CC1.
What is the InChIKey of methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
The InChIKey is VXSPZTDKJIUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-24-15(21)13-7-3-4-8-14(13)19-16(22)18(9-10-18)17(23)20-11-5-2-6-12-20/h3-4,7-8H,2,5-6,9-12H2,1H3,(H,19,22).
What are the key properties of methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate?
methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate has a molecular weight of 330.38 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(piperidine-1-carbonyl)cyclopropanecarbonyl]amino]benzoate is sourced from PubChem (CID 108972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).