2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

C15H20N4O — CID 39965110

IUPAC2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h1,3-4,6-7,13H,2,5,8-12H2/t13-/m1/s1
InChIKeyBERUPFYSUWDJLJ-CYBMUJFWSA-N
MW272.35 g/mol
LogP1.48
Rot. Bonds3

About 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (PubChem CID 39965110) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
PubChem CID39965110
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
SMILESO=C(C[C@@H]1C=CCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H20N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h1,3-4,6-7,13H,2,5,8-12H2/t13-/m1/s1
InChIKeyBERUPFYSUWDJLJ-CYBMUJFWSA-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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Related Compounds

2-cyclopentyl-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 78768063
2-(cyclopropylamino)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 60671657
2-[(1R)-cyclopent-2-en-1-yl]-N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]acetamide
CID 94806313
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-(pyridazin-3-ylamino)piperidin-1-yl]ethanone
CID 95313391
2-[(1R)-cyclopent-2-en-1-yl]-1-[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]ethanone
CID 100844187
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;dihydrochloride
CID 119827979
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 17148603
(5S)-5-[2-oxo-2-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)ethyl]imidazolidine-2,4-dione
CID 99929142
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(fluoromethyl)piperidin-1-yl]ethanone
CID 129348527
2-[(1S)-cyclopent-2-en-1-yl]-1-[4-(2-methoxyacetyl)-1,4-diazepan-1-yl]ethanone
CID 95218372
2-cyclopent-2-en-1-yl-1-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 131945624
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The IUPAC name of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone (CID 39965110) is 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone.
What is the SMILES notation for 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The canonical SMILES for 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is O=C(C[C@@H]1C=CCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
The InChIKey is BERUPFYSUWDJLJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H20N4O/c20-14(12-13-4-1-2-5-13)18-8-10-19(11-9-18)15-16-6-3-7-17-15/h1,3-4,6-7,13H,2,5,8-12H2/t13-/m1/s1.
What are the key properties of 2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone?
2-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-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-[(1R)-cyclopent-2-en-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone is sourced from PubChem (CID 39965110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).