1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one

C18H21N5O — CID 72861594

IUPAC1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
SMILESO=C1CN(c2nccc(-c3cccnc3)n2)CCN1C1CCCC1
InChIInChI=1S/C18H21N5O/c24-17-13-22(10-11-23(17)15-5-1-2-6-15)18-20-9-7-16(21-18)14-4-3-8-19-12-14/h3-4,7-9,12,15H,1-2,5-6,10-11,13H2
InChIKeyXZYJGJASWHMPFY-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.13
Rot. Bonds3

About 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one

1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one (PubChem CID 72861594) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one.

Molecular Properties

Compound Name1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
PubChem CID72861594
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one
SMILESO=C1CN(c2nccc(-c3cccnc3)n2)CCN1C1CCCC1
InChIInChI=1S/C18H21N5O/c24-17-13-22(10-11-23(17)15-5-1-2-6-15)18-20-9-7-16(21-18)14-4-3-8-19-12-14/h3-4,7-9,12,15H,1-2,5-6,10-11,13H2
InChIKeyXZYJGJASWHMPFY-UHFFFAOYSA-N
XLogP2.13
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methylpiperazin-1-yl)-4-pyridin-3-ylpyrimidine
CID 44613762
(1S,6R)-9-methyl-3-(4-pyridin-3-ylpyrimidin-2-yl)-3,9-diazabicyclo[4.2.1]nonane
CID 133138519
1-methylsulfonyl-4-(4-pyridin-3-ylpyrimidin-2-yl)-1,4-diazepane
CID 72893326
2-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 163351985
1-(4-pyridin-3-ylpyrimidin-2-yl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168672276
morpholin-4-yl-[1-(4-pyridin-3-ylpyrimidin-2-yl)piperidin-3-yl]methanone
CID 72847566
4-pyridin-3-yl-2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidine
CID 163356780
ethyl (3R)-1-(4-pyridin-3-ylpyrimidin-2-yl)piperidine-3-carboxylate
CID 97451731
2-[4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-1-yl]pyrido[1,2-a]pyrimidin-4-one
CID 163357268
(1S,9S)-11-(4-pyridin-3-ylpyrimidin-2-yl)-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 72879253
1-(4-pyridin-3-ylpyrimidin-2-yl)-2,3-dihydroindole
CID 66493687
2-[4-(6-ethylpyrimidin-4-yl)piperazin-1-yl]-4-pyridin-3-ylpyrimidine
CID 74231908

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one?
The IUPAC name of 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one (CID 72861594) is 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one.
What is the SMILES notation for 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one?
The canonical SMILES for 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one is O=C1CN(c2nccc(-c3cccnc3)n2)CCN1C1CCCC1.
What is the InChIKey of 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one?
The InChIKey is XZYJGJASWHMPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c24-17-13-22(10-11-23(17)15-5-1-2-6-15)18-20-9-7-16(21-18)14-4-3-8-19-12-14/h3-4,7-9,12,15H,1-2,5-6,10-11,13H2.
What are the key properties of 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one?
1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one has a molecular weight of 323.40 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-4-(4-pyridin-3-ylpyrimidin-2-yl)piperazin-2-one is sourced from PubChem (CID 72861594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).