2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

C15H20N4O — CID 42938974

IUPAC2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c20-15(11-13-3-1-2-4-13)19-9-7-18(8-10-19)14-12-16-5-6-17-14/h1,3,5-6,12-13H,2,4,7-11H2
InChIKeyBFLQXHPVMHJURP-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds3

About 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone

2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (PubChem CID 42938974) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
PubChem CID42938974
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1C=CCC1)N1CCN(c2cnccn2)CC1
InChIInChI=1S/C15H20N4O/c20-15(11-13-3-1-2-4-13)19-9-7-18(8-10-19)14-12-16-5-6-17-14/h1,3,5-6,12-13H,2,4,7-11H2
InChIKeyBFLQXHPVMHJURP-UHFFFAOYSA-N
XLogP1.48
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.48
H-Bond Donors ≤ 50
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 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone (CID 42938974) is 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is O=C(CC1C=CCC1)N1CCN(c2cnccn2)CC1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BFLQXHPVMHJURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c20-15(11-13-3-1-2-4-13)19-9-7-18(8-10-19)14-12-16-5-6-17-14/h1,3,5-6,12-13H,2,4,7-11H2.
What are the key properties of 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone?
2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-1-(4-pyrazin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 42938974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).