ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate

C17H29N3O4 — CID 109138930

IUPACethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCC(C)C)CC1
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)20-9-7-19(8-10-20)16(22)14-11-13(14)15(21)18-6-5-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,21)
InChIKeyPNHCVHCLTMOIJS-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.09
Rot. Bonds6

About ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate

ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 109138930) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID109138930
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCC(C)C)CC1
InChIInChI=1S/C17H29N3O4/c1-4-24-17(23)20-9-7-19(8-10-20)16(22)14-11-13(14)15(21)18-6-5-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,21)
InChIKeyPNHCVHCLTMOIJS-UHFFFAOYSA-N
XLogP1.09
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[2-[2-(dimethylamino)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109133678
ethyl 4-[2-(butan-2-ylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109131655
2-(4-ethoxycarbonylpiperazine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 54918475
2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-N-(3-methylbutyl)cyclopropane-1-carboxamide
CID 109139132
ethyl 4-[2-(cyclohexylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109132417
ethyl 4-[2-(pyridin-2-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109136883
ethyl 4-[[2-(butylcarbamoyl)cyclopropanecarbonyl]amino]piperidine-1-carboxylate
CID 109131267
N-(2-methoxyethyl)-2-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 109132906
2-(morpholine-4-carbonyl)-N-propylcyclopropane-1-carboxamide
CID 109130430
ethyl 4-[2-[(3,4-difluorophenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 109138987
ethyl 4-[[N'-methyl-N-(3-methylbutyl)carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111327291
ethyl 4-[[2,2-dimethyl-3-(3-methylbutylamino)-3-oxopropanoyl]amino]piperidine-1-carboxylate
CID 108965291

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 109138930) is ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)C2CC2C(=O)NCCC(C)C)CC1.
What is the InChIKey of ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is PNHCVHCLTMOIJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-4-24-17(23)20-9-7-19(8-10-20)16(22)14-11-13(14)15(21)18-6-5-12(2)3/h12-14H,4-11H2,1-3H3,(H,18,21).
What are the key properties of ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(3-methylbutylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 109138930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).