1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

C17H17ClN2O3 — CID 110358782

IUPAC1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyHYPCZXWBGKWWST-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone

1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 110358782) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID110358782
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(CN1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2
InChIKeyHYPCZXWBGKWWST-UHFFFAOYSA-N
XLogP2.57
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetamide
CID 6470859
[4-[2-(4-chlorophenyl)-2-hydroxyethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 46445280
[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]-(furan-2-yl)methanone
CID 78789988
1-[4-[2-(4-chlorophenyl)-2-oxoethyl]piperazin-1-yl]-2-phenylethanone
CID 110358796
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
3-[4-(furan-2-carbonyl)piperazin-1-yl]-1-(4-methylphenyl)propan-1-one
CID 86799659
2-[4-(furan-2-carbonyl)piperazin-1-yl]-1-piperidin-1-ylethanone
CID 1452094
2-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]acetic acid
CID 55119191
1-(azepan-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 78789970
N'-acetyl-2-[4-(furan-2-carbonyl)piperazin-1-yl]acetohydrazide
CID 8548952
1-(4-chlorophenyl)-2-[4-(2,3,4-trifluorobenzoyl)piperazin-1-yl]ethanone
CID 110358816
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(2,4,5-trichlorophenyl)acetamide
CID 5205501

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone (CID 110358782) is 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is O=C(CN1CCN(C(=O)c2ccco2)CC1)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is HYPCZXWBGKWWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-14-5-3-13(4-6-14)15(21)12-19-7-9-20(10-8-19)17(22)16-2-1-11-23-16/h1-6,11H,7-10,12H2.
What are the key properties of 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone?
1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 332.79 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 110358782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).