ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate

C17H29N3O4 — CID 108978683

IUPACethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCCCCNC(=O)C1(C(=O)N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H29N3O4/c1-3-5-6-9-18-14(21)17(7-8-17)15(22)19-10-12-20(13-11-19)16(23)24-4-2/h3-13H2,1-2H3,(H,18,21)
InChIKeyDADQGZHDXYBNGF-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.37
Rot. Bonds7

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

ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (PubChem CID 108978683) has the molecular formula C17H29N3O4 and a molecular weight of 339.44 g/mol. Its IUPAC name is ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
PubChem CID108978683
Molecular FormulaC17H29N3O4
Molecular Weight339.44 g/mol
Exact Mass339.22
IUPAC Nameethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
SMILESCCCCCNC(=O)C1(C(=O)N2CCN(C(=O)OCC)CC2)CC1
InChIInChI=1S/C17H29N3O4/c1-3-5-6-9-18-14(21)17(7-8-17)15(22)19-10-12-20(13-11-19)16(23)24-4-2/h3-13H2,1-2H3,(H,18,21)
InChIKeyDADQGZHDXYBNGF-UHFFFAOYSA-N
XLogP1.37
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[1-(butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971033
1-(morpholine-4-carbonyl)-N-pentylcyclopropane-1-carboxamide
CID 108973097
N-butyl-1-(pyrrolidine-1-carbonyl)cyclopropane-1-carboxamide
CID 108970977
ethyl 4-[1-(2-methylpropylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971227
ethyl 4-[1-[2-(4-fluorophenyl)ethylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108977457
ethyl 4-[1-(tert-butylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978680
ethyl 4-[1-[(4-methylphenyl)methylcarbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108975230
ethyl 4-[1-(cyclopentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108971804
ethyl 4-[1-[(2,4,6-trimethylphenyl)carbamoyl]cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108978708
ethyl 4-[1-(pyridin-4-ylmethylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate
CID 108976948
N-(3-methoxypropyl)-1-(4-methylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108972855
ethyl 4-[3-(butylamino)-3-oxopropanoyl]piperazine-1-carboxylate
CID 108941411

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate (CID 108978683) is ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is CCCCCNC(=O)C1(C(=O)N2CCN(C(=O)OCC)CC2)CC1.
What is the InChIKey of ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
The InChIKey is DADQGZHDXYBNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O4/c1-3-5-6-9-18-14(21)17(7-8-17)15(22)19-10-12-20(13-11-19)16(23)24-4-2/h3-13H2,1-2H3,(H,18,21).
What are the key properties of ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate?
ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate has a molecular weight of 339.44 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[1-(pentylcarbamoyl)cyclopropanecarbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 108978683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).