cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

C15H20N4O — CID 75506209

IUPACcyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)C3CC=CC3)CC2)n1
InChIInChI=1S/C15H20N4O/c1-12-16-7-6-14(17-12)18-8-10-19(11-9-18)15(20)13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyXYSDOLXVNDPWFR-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.40
Rot. Bonds2

About cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone

cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (PubChem CID 75506209) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
PubChem CID75506209
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Namecyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
SMILESCc1nccc(N2CCN(C(=O)C3CC=CC3)CC2)n1
InChIInChI=1S/C15H20N4O/c1-12-16-7-6-14(17-12)18-8-10-19(11-9-18)15(20)13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3
InChIKeyXYSDOLXVNDPWFR-UHFFFAOYSA-N
XLogP1.40
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.40
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 cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone (CID 75506209) is cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is Cc1nccc(N2CCN(C(=O)C3CC=CC3)CC2)n1.
What is the InChIKey of cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
The InChIKey is XYSDOLXVNDPWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-16-7-6-14(17-12)18-8-10-19(11-9-18)15(20)13-4-2-3-5-13/h2-3,6-7,13H,4-5,8-11H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone?
cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone has a molecular weight of 272.35 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 75506209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).