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

C20H25ClN4O2 — CID 121063511

IUPAC6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-2-3-6-17-13-19(26)25(15-22-17)14-20(27)24-10-8-23(9-11-24)18-7-4-5-16(21)12-18/h4-5,7,12-13,15H,2-3,6,8-11,14H2,1H3
InChIKeyLNPFTTXNMZDYOK-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.59
Rot. Bonds6

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

6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (PubChem CID 121063511) has the molecular formula C20H25ClN4O2 and a molecular weight of 388.90 g/mol. Its IUPAC name is 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.

Molecular Properties

Compound Name6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
PubChem CID121063511
Molecular FormulaC20H25ClN4O2
Molecular Weight388.90 g/mol
Exact Mass388.17
IUPAC Name6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
SMILESCCCCc1cc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C20H25ClN4O2/c1-2-3-6-17-13-19(26)25(15-22-17)14-20(27)24-10-8-23(9-11-24)18-7-4-5-16(21)12-18/h4-5,7,12-13,15H,2-3,6,8-11,14H2,1H3
InChIKeyLNPFTTXNMZDYOK-UHFFFAOYSA-N
XLogP2.59
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-butyl-3-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063468
3-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064390
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
CID 121090524
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6,7-dimethoxyquinazolin-4-one
CID 29135161
6-ethyl-3-[2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121064411
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
3-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064280
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
CID 121063732
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-methylsulfanylethanone
CID 134059598
3-[2-(4-benzhydrylpiperazin-1-yl)-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064409
3-[2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-8-methylquinazolin-4-one
CID 60556980
1-(4-acetylpiperazin-1-yl)-3-[4-(3-chlorophenyl)piperazin-1-yl]propane-1,3-dione
CID 108944892

Frequently Asked Questions

What is the IUPAC name of 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The IUPAC name of 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one (CID 121063511) is 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one.
What is the SMILES notation for 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The canonical SMILES for 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is CCCCc1cc(=O)n(CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
The InChIKey is LNPFTTXNMZDYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O2/c1-2-3-6-17-13-19(26)25(15-22-17)14-20(27)24-10-8-23(9-11-24)18-7-4-5-16(21)12-18/h4-5,7,12-13,15H,2-3,6,8-11,14H2,1H3.
What are the key properties of 6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one?
6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one has a molecular weight of 388.90 g/mol, XLogP of 2.59, 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-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one is sourced from PubChem (CID 121063511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).