2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one

C19H21ClN2O4 — CID 138992210

IUPAC2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one
SMILESCCC(O)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-2-19(25,14-5-3-6-15(20)13-14)18(24)22-10-8-21(9-11-22)17(23)16-7-4-12-26-16/h3-7,12-13,25H,2,8-11H2,1H3
InChIKeyIAHJCJAUMXURRS-UHFFFAOYSA-N
MW376.84 g/mol
LogP2.52
Rot. Bonds4

About 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one

2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one (PubChem CID 138992210) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one
PubChem CID138992210
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one
SMILESCCC(O)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-2-19(25,14-5-3-6-15(20)13-14)18(24)22-10-8-21(9-11-22)17(23)16-7-4-12-26-16/h3-7,12-13,25H,2,8-11H2,1H3
InChIKeyIAHJCJAUMXURRS-UHFFFAOYSA-N
XLogP2.52
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-[[5-(3-chlorophenyl)thiophen-2-yl]methyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 37399531
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
[4-[1-(3-chlorophenyl)-5-ethylpyrazole-4-carbonyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 38908946
[4-(3,6-dichloro-1-benzothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 30339776
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(3-ethyl-3-methylpentyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 71096247
2-(4-fluorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197394
N-[(E)-2-(3-chlorophenyl)ethenyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 108906730
N-[2-(4-chlorophenyl)-2-methylpropyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide
CID 113213456
2-(2,5-dichlorophenyl)sulfanyl-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 2350113

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one?
The IUPAC name of 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one (CID 138992210) is 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one.
What is the SMILES notation for 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one?
The canonical SMILES for 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one is CCC(O)(C(=O)N1CCN(C(=O)c2ccco2)CC1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one?
The InChIKey is IAHJCJAUMXURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-2-19(25,14-5-3-6-15(20)13-14)18(24)22-10-8-21(9-11-22)17(23)16-7-4-12-26-16/h3-7,12-13,25H,2,8-11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one?
2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one has a molecular weight of 376.84 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-hydroxybutan-1-one is sourced from PubChem (CID 138992210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).