3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one

C13H16N4O — CID 104787652

IUPAC3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C13H16N4O/c18-12-3-2-11(10-12)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10H,2-3,6-9H2
InChIKeyDDRVJAJDEHZOLN-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.85
Rot. Bonds2

About 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one

3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one (PubChem CID 104787652) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one.

Molecular Properties

Compound Name3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one
PubChem CID104787652
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one
SMILESO=C1C=C(N2CCN(c3ncccn3)CC2)CC1
InChIInChI=1S/C13H16N4O/c18-12-3-2-11(10-12)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10H,2-3,6-9H2
InChIKeyDDRVJAJDEHZOLN-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-hydroxy-4-methylpiperidin-1-yl)cyclopent-2-en-1-one
CID 104788012
4-pyrimidin-2-ylpiperazine-1-sulfonic acid
CID 142758234
1,2-bis(4-pyrimidin-2-ylpiperazin-1-yl)ethane-1,2-dione
CID 3412822
ethane;2-(4-methylpiperazin-1-yl)pyrimidine
CID 143004762
3-amino-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobut-3-ene-1,2-dione
CID 134069476
2-(4-propan-2-ylsulfonylpiperazin-1-yl)pyrimidine
CID 47371249
1-methylsulfonyl-4-pyrimidin-2-yl-1,4-diazepane
CID 30397162
hydroxyimino-oxido-(4-pyrimidin-2-ylpiperazin-1-yl)azanium
CID 136674209
(4-pyrimidin-2-ylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987866
1-[1-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-2,5-dione
CID 70202660
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]sulfonylazepane
CID 23605772
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetyl chloride
CID 39255813

Frequently Asked Questions

What is the IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one?
The IUPAC name of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one (CID 104787652) is 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one.
What is the SMILES notation for 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one?
The canonical SMILES for 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one is O=C1C=C(N2CCN(c3ncccn3)CC2)CC1.
What is the InChIKey of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one?
The InChIKey is DDRVJAJDEHZOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c18-12-3-2-11(10-12)16-6-8-17(9-7-16)13-14-4-1-5-15-13/h1,4-5,10H,2-3,6-9H2.
What are the key properties of 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one?
3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one has a molecular weight of 244.30 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclopent-2-en-1-one is sourced from PubChem (CID 104787652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).