ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate

C18H24N4O4 — CID 109136883

IUPACethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H24N4O4/c1-2-26-18(25)22-9-7-21(8-10-22)17(24)15-11-14(15)16(23)20-12-13-5-3-4-6-19-13/h3-6,14-15H,2,7-12H2,1H3,(H,20,23)
InChIKeyXTJDUJLHTJVBJK-UHFFFAOYSA-N
MW360.41 g/mol
LogP0.63
Rot. Bonds5

About ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109136883) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109136883
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Nameethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C18H24N4O4/c1-2-26-18(25)22-9-7-21(8-10-22)17(24)15-11-14(15)16(23)20-12-13-5-3-4-6-19-13/h3-6,14-15H,2,7-12H2,1H3,(H,20,23)
InChIKeyXTJDUJLHTJVBJK-UHFFFAOYSA-N
XLogP0.63
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109134155
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136889
2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136864
ethyl 4-[4-(pyridin-2-ylmethylcarbamoyl)benzoyl]piperazine-1-carboxylate
CID 109047539
2-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 109136915
N-[(2-methylphenyl)methyl]-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109135176
ethyl 4-[6-(pyridin-2-ylmethylamino)pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109157674
ethyl 4-(3-pyridin-2-ylpropanoyl)piperazine-1-carboxylate
CID 110389199
N-(pyridin-4-ylmethyl)-2-(4-pyridin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109137199
1-N-(3-chloro-4-methylphenyl)-2-N-(pyridin-2-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109136942
2-N-(pyridin-2-ylmethyl)-1-N-(3,4,5-trimethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109136993
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109136883) is ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCc2ccccn2)CC1.
What is the InChIKey of ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is XTJDUJLHTJVBJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-2-26-18(25)22-9-7-21(8-10-22)17(24)15-11-14(15)16(23)20-12-13-5-3-4-6-19-13/h3-6,14-15H,2,7-12H2,1H3,(H,20,23).
What are the key properties of ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 360.41 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109136883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).