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

C17H17ClN2O3 — CID 32528222

IUPAC2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17ClN2O3/c18-15-4-2-1-3-13(15)11-16(21)19-6-8-20(9-7-19)17(22)14-5-10-23-12-14/h1-5,10,12H,6-9,11H2
InChIKeyKIYWSQMAIPNXCP-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.46
Rot. Bonds3

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

2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone (PubChem CID 32528222) has the molecular formula C17H17ClN2O3 and a molecular weight of 332.79 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
PubChem CID32528222
Molecular FormulaC17H17ClN2O3
Molecular Weight332.79 g/mol
Exact Mass332.09
IUPAC Name2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1
InChIInChI=1S/C17H17ClN2O3/c18-15-4-2-1-3-13(15)11-16(21)19-6-8-20(9-7-19)17(22)14-5-10-23-12-14/h1-5,10,12H,6-9,11H2
InChIKeyKIYWSQMAIPNXCP-UHFFFAOYSA-N
XLogP2.46
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[1-[(2-chlorophenyl)methyl]pyrazole-4-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32534053
1-[4-[4-(aminomethyl)benzoyl]piperazin-1-yl]-2-(2-chlorophenyl)ethanone
CID 119306674
2-(2-chlorophenyl)-1-(furan-3-yl)ethanone
CID 61056249
1-[4-(3-aminobenzoyl)piperazin-1-yl]-2-(2-chlorophenyl)ethanone;hydrochloride
CID 119754548
3-amino-1-[4-[2-(2-chlorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 119306662
2-(2-chlorophenyl)-1-[4-(pyridine-3-carbonyl)-1,4-diazepan-1-yl]ethanone
CID 110798857
[4-[1-(2-chlorophenyl)ethyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 46579668
(3,4-dichlorophenyl)-[4-(furan-3-carbonyl)piperazin-1-yl]methanone
CID 32530613
2-(2-chlorophenyl)-1-[4-(2-propan-2-ylfuran-3-carbonyl)piperazin-1-yl]ethanone
CID 136539206
[4-[5-(2-chlorophenyl)furan-2-carbonyl]piperazin-1-yl]-(furan-3-yl)methanone
CID 32532166
1-[4-(furan-3-carbonyl)piperazin-1-yl]-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 38496850
2-(2-chlorophenyl)-1-(1,4-oxazepan-4-yl)ethanone
CID 134160663

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone (CID 32528222) is 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1ccccc1Cl)N1CCN(C(=O)c2ccoc2)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is KIYWSQMAIPNXCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O3/c18-15-4-2-1-3-13(15)11-16(21)19-6-8-20(9-7-19)17(22)14-5-10-23-12-14/h1-5,10,12H,6-9,11H2.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone?
2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 332.79 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(furan-3-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 32528222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).