2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

C15H22N4O2 — CID 137154125

IUPAC2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(20)17-15(16-11)19-8-6-18(7-9-19)14(21)12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,16,17,20)
InChIKeyQHSZYJOEPLFJIY-UHFFFAOYSA-N
MW290.37 g/mol
LogP0.92
Rot. Bonds2

About 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 137154125) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID137154125
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCN(C(=O)C3CCCC3)CC2)n1
InChIInChI=1S/C15H22N4O2/c1-11-10-13(20)17-15(16-11)19-8-6-18(7-9-19)14(21)12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,16,17,20)
InChIKeyQHSZYJOEPLFJIY-UHFFFAOYSA-N
XLogP0.92
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one (CID 137154125) is 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCN(C(=O)C3CCCC3)CC2)n1.
What is the InChIKey of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is QHSZYJOEPLFJIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11-10-13(20)17-15(16-11)19-8-6-18(7-9-19)14(21)12-4-2-3-5-12/h10,12H,2-9H2,1H3,(H,16,17,20).
What are the key properties of 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 290.37 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclopentanecarbonyl)piperazin-1-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137154125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).