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

C18H29N3O4 — CID 109132417

IUPACethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H29N3O4/c1-2-25-18(24)21-10-8-20(9-11-21)17(23)15-12-14(15)16(22)19-13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyFEJXJGXVUNQAOW-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.37
Rot. Bonds4

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

ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109132417) has the molecular formula C18H29N3O4 and a molecular weight of 351.45 g/mol. Its IUPAC name is ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109132417
Molecular FormulaC18H29N3O4
Molecular Weight351.45 g/mol
Exact Mass351.22
IUPAC Nameethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NC2CCCCC2)CC1
InChIInChI=1S/C18H29N3O4/c1-2-25-18(24)21-10-8-20(9-11-21)17(23)15-12-14(15)16(22)19-13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H,19,22)
InChIKeyFEJXJGXVUNQAOW-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-acetylpiperazine-1-carbonyl)-N-cyclopentylcyclopropane-1-carboxamide
CID 109131999
ethyl 2-(cyclohexylcarbamoyl)cyclopropane-1-carboxylate
CID 102105181
ethyl 4-[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109131655
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
N-cyclopentyl-2-(morpholine-4-carbonyl)cyclopropane-1-carboxamide
CID 109131991
ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
ethyl 4-(cyclohexanecarbonyl)piperazine-1-carboxylate
CID 750615
ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678
ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138930
1-N,2-N-dicyclohexylcyclopropane-1,2-dicarboxamide
CID 109132364
2-N-cycloheptyl-1-N-cyclopentylcyclopropane-1,2-dicarboxamide
CID 109132055
ethyl 4-[[2-[3-(dimethylamino)propylcarbamoyl]cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109134001

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109132417) is ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)NC2CCCCC2)CC1.
What is the InChIKey of ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is FEJXJGXVUNQAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O4/c1-2-25-18(24)21-10-8-20(9-11-21)17(23)15-12-14(15)16(22)19-13-6-4-3-5-7-13/h13-15H,2-12H2,1H3,(H,19,22).
What are the key properties of ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 351.45 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109132417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).