1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

C15H20N4O — CID 126850117

IUPAC1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC=CC3)ncn2)CC1
InChIInChI=1S/C15H20N4O/c1-12(20)18-6-8-19(9-7-18)15-10-14(16-11-17-15)13-4-2-3-5-13/h2-3,10-11,13H,4-9H2,1H3
InChIKeyCPKAMPAVLFZTLQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.58
Rot. Bonds2

About 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone

1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (PubChem CID 126850117) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
PubChem CID126850117
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(C3CC=CC3)ncn2)CC1
InChIInChI=1S/C15H20N4O/c1-12(20)18-6-8-19(9-7-18)15-10-14(16-11-17-15)13-4-2-3-5-13/h2-3,10-11,13H,4-9H2,1H3
InChIKeyCPKAMPAVLFZTLQ-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
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

4-[6-(3-aminocyclobutyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-carboxamide;dihydrochloride
CID 154902625
1-[4-(6-chloropyrimidin-4-yl)-1,4-diazepan-1-yl]ethanone
CID 55002987
1-[4-[6-(pyrrolidine-1-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109341019
[4-(6-cyclobutylpyrimidin-4-yl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 172900074
1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-ol
CID 126850200
1-[4-[4-(6-ethylpyrimidin-4-yl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 91785161
1-[4-[6-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 109345888
[4-[6-(3-hydroxycyclobutyl)pyrimidin-4-yl]piperazin-1-yl]-(2-methoxyphenyl)methanone
CID 91767555
4-[6-(4-acetyl-1,4-diazepan-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 138033398
1-[4-[6-(butylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112855082
N-[(3S)-1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 97146633
N-[1-(6-cyclopropylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylacetamide
CID 155974233

Frequently Asked Questions

What is the IUPAC name of 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone (CID 126850117) is 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(C3CC=CC3)ncn2)CC1.
What is the InChIKey of 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
The InChIKey is CPKAMPAVLFZTLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12(20)18-6-8-19(9-7-18)15-10-14(16-11-17-15)13-4-2-3-5-13/h2-3,10-11,13H,4-9H2,1H3.
What are the key properties of 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone?
1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone has a molecular weight of 272.35 g/mol, XLogP of 1.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(6-cyclopent-3-en-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126850117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).