3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide

C19H33N3O2 — CID 167106270

IUPAC3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
SMILESC=CC1CC(C)C(C(=O)NCCN2CCNCC2)C1C(=O)C(C)C
InChIInChI=1S/C19H33N3O2/c1-5-15-12-14(4)16(17(15)18(23)13(2)3)19(24)21-8-11-22-9-6-20-7-10-22/h5,13-17,20H,1,6-12H2,2-4H3,(H,21,24)
InChIKeyBIUKHNHPJBWTIS-UHFFFAOYSA-N
MW335.49 g/mol
LogP1.31
Rot. Bonds7

About 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide

3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide (PubChem CID 167106270) has the molecular formula C19H33N3O2 and a molecular weight of 335.49 g/mol. Its IUPAC name is 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
PubChem CID167106270
Molecular FormulaC19H33N3O2
Molecular Weight335.49 g/mol
Exact Mass335.26
IUPAC Name3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide
SMILESC=CC1CC(C)C(C(=O)NCCN2CCNCC2)C1C(=O)C(C)C
InChIInChI=1S/C19H33N3O2/c1-5-15-12-14(4)16(17(15)18(23)13(2)3)19(24)21-8-11-22-9-6-20-7-10-22/h5,13-17,20H,1,6-12H2,2-4H3,(H,21,24)
InChIKeyBIUKHNHPJBWTIS-UHFFFAOYSA-N
XLogP1.31
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.49
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide?
The IUPAC name of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide (CID 167106270) is 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide is C=CC1CC(C)C(C(=O)NCCN2CCNCC2)C1C(=O)C(C)C.
What is the InChIKey of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide?
The InChIKey is BIUKHNHPJBWTIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N3O2/c1-5-15-12-14(4)16(17(15)18(23)13(2)3)19(24)21-8-11-22-9-6-20-7-10-22/h5,13-17,20H,1,6-12H2,2-4H3,(H,21,24).
What are the key properties of 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide?
3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide has a molecular weight of 335.49 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-5-methyl-2-(2-methylpropanoyl)-N-(2-piperazin-1-ylethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 167106270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).