2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C15H22N4O — CID 78768063

IUPAC2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13H,1-2,4-5,8-12H2
InChIKeyDVQBZDUOWJHKGF-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.71
Rot. Bonds3

About 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 78768063) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID78768063
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(CC1CCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H22N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13H,1-2,4-5,8-12H2
InChIKeyDVQBZDUOWJHKGF-UHFFFAOYSA-N
XLogP1.71
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119827979
2-cyclopentyl-1-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 122343767
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 39965110
N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
(3S,4aR,8aS)-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-quinoxalin-2-one
CID 2034568
(5S)-5-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]imidazolidine-2,4-dione
CID 99929142
1-(4-pyrimidin-2-ylpiperazin-1-yl)-2-pyrrolidin-1-ylethanone
CID 110688001
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
2-cyclohexyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 806694
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidin-4-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 53118707
2-(1-hydroxycyclohexyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 111331567

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 78768063) is 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(CC1CCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is DVQBZDUOWJHKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h3,6-7,13H,1-2,4-5,8-12H2.
What are the key properties of 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone has a molecular weight of 274.37 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 78768063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).