2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

C16H26N2O2 — CID 51073414

IUPAC2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H26N2O2/c19-16(12-14-4-1-2-5-14)18-9-7-17(8-10-18)13-15-6-3-11-20-15/h1,4,14-15H,2-3,5-13H2
InChIKeyCPSZBDOADUGRQW-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.67
Rot. Bonds4

About 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone

2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (PubChem CID 51073414) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
PubChem CID51073414
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone
SMILESO=C(CC1C=CCC1)N1CCN(CC2CCCO2)CC1
InChIInChI=1S/C16H26N2O2/c19-16(12-14-4-1-2-5-14)18-9-7-17(8-10-18)13-15-6-3-11-20-15/h1,4,14-15H,2-3,5-13H2
InChIKeyCPSZBDOADUGRQW-UHFFFAOYSA-N
XLogP1.67
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone (CID 51073414) is 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is O=C(CC1C=CCC1)N1CCN(CC2CCCO2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
The InChIKey is CPSZBDOADUGRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c19-16(12-14-4-1-2-5-14)18-9-7-17(8-10-18)13-15-6-3-11-20-15/h1,4,14-15H,2-3,5-13H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone?
2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone has a molecular weight of 278.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-[4-(oxolan-2-ylmethyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 51073414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).