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

C20H19ClN4O3 — CID 121090524

IUPAC3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O3/c21-15-3-1-4-16(11-15)23-6-8-24(9-7-23)20(27)13-25-14-22-17(12-19(25)26)18-5-2-10-28-18/h1-5,10-12,14H,6-9,13H2
InChIKeyOGQJXBNPQKZHKV-UHFFFAOYSA-N
MW398.85 g/mol
LogP2.51
Rot. Bonds4

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

3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one (PubChem CID 121090524) has the molecular formula C20H19ClN4O3 and a molecular weight of 398.85 g/mol. Its IUPAC name is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one.

Molecular Properties

Compound Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
PubChem CID121090524
Molecular FormulaC20H19ClN4O3
Molecular Weight398.85 g/mol
Exact Mass398.11
IUPAC Name3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C20H19ClN4O3/c21-15-3-1-4-16(11-15)23-6-8-24(9-7-23)20(27)13-25-14-22-17(12-19(25)26)18-5-2-10-28-18/h1-5,10-12,14H,6-9,13H2
InChIKeyOGQJXBNPQKZHKV-UHFFFAOYSA-N
XLogP2.51
TPSA71.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one with MolForge

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Related Compounds

6-butyl-3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 121063511
3-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-6-(4-methylphenyl)pyrimidin-4-one
CID 121063732
6-(furan-2-yl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 7658856
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6,7-dimethoxyquinazolin-4-one
CID 29135161
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 26696092
3-[2-[4-[6-(furan-2-yl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]quinazolin-4-one
CID 121058782
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
3-[2-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-6-ethylpyrimidin-4-one
CID 121064390
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,5-dimethylpyrazol-1-yl)ethanone
CID 27009750
6-(4-chlorophenyl)-3-(2-morpholin-4-yl-2-oxoethyl)pyrimidin-4-one
CID 30935738
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(furan-2-yl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 46672457
4-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]morpholin-3-one
CID 136538299

Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one?
The IUPAC name of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one (CID 121090524) is 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one.
What is the SMILES notation for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one?
The canonical SMILES for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one is O=C(Cn1cnc(-c2ccco2)cc1=O)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one?
The InChIKey is OGQJXBNPQKZHKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3/c21-15-3-1-4-16(11-15)23-6-8-24(9-7-23)20(27)13-25-14-22-17(12-19(25)26)18-5-2-10-28-18/h1-5,10-12,14H,6-9,13H2.
What are the key properties of 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one?
3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one has a molecular weight of 398.85 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl]-6-(furan-2-yl)pyrimidin-4-one is sourced from PubChem (CID 121090524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).