6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

C20H25FN4O2 — CID 121063468

IUPAC6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H25FN4O2/c1-2-3-4-17-13-19(26)25(15-22-17)14-20(27)24-11-9-23(10-12-24)18-7-5-16(21)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3
InChIKeyQLTCTBHEEWJASC-UHFFFAOYSA-N
MW372.44 g/mol
LogP2.07
Rot. Bonds6

About 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one

6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 121063468) has the molecular formula C20H25FN4O2 and a molecular weight of 372.44 g/mol. Its IUPAC name is 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID121063468
Molecular FormulaC20H25FN4O2
Molecular Weight372.44 g/mol
Exact Mass372.20
IUPAC Name6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1
InChIInChI=1S/C20H25FN4O2/c1-2-3-4-17-13-19(26)25(15-22-17)14-20(27)24-11-9-23(10-12-24)18-7-5-16(21)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3
InChIKeyQLTCTBHEEWJASC-UHFFFAOYSA-N
XLogP2.07
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063511
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
3-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064390
1-[4-(4-fluorophenyl)piperazin-1-yl]hexan-1-one
CID 591294
1-[4-(4-fluorophenyl)piperazin-1-yl]octan-1-one
CID 4161880
1-[4-(4-fluorophenyl)piperazin-1-yl]decan-1-one
CID 3670051
1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 3659016
3-[2-[4-[6-(4-fluorophenyl)pyrimidin-4-yl]piperazin-1-yl]-2-oxoethyl]-6-phenylpyrimidin-4-one
CID 121107345
2-(5-butan-2-yl-3-propan-2-ylpyrazol-1-yl)-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 70974292
7-(4-fluorophenyl)-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]thieno[3,2-d]pyrimidin-4-one
CID 45498996
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064409
2-[4-(4-fluorophenyl)piperazin-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 108995416

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 121063468) is 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is CCCCc1cc(=O)n(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cn1.
What is the InChIKey of 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is QLTCTBHEEWJASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O2/c1-2-3-4-17-13-19(26)25(15-22-17)14-20(27)24-11-9-23(10-12-24)18-7-5-16(21)6-8-18/h5-8,13,15H,2-4,9-12,14H2,1H3.
What are the key properties of 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 372.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121063468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).