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

C16H17ClN2O2 — CID 62050562

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccco1
InChIInChI=1S/C16H17ClN2O2/c17-13-3-1-4-14(11-13)19-8-6-18(7-9-19)12-15(20)16-5-2-10-21-16/h1-5,10-11H,6-9,12H2
InChIKeyKDGAQLKNRBPVPR-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.94
Rot. Bonds4

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

2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone (PubChem CID 62050562) has the molecular formula C16H17ClN2O2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
PubChem CID62050562
Molecular FormulaC16H17ClN2O2
Molecular Weight304.78 g/mol
Exact Mass304.10
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
SMILESO=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccco1
InChIInChI=1S/C16H17ClN2O2/c17-13-3-1-4-14(11-13)19-8-6-18(7-9-19)12-15(20)16-5-2-10-21-16/h1-5,10-11H,6-9,12H2
InChIKeyKDGAQLKNRBPVPR-UHFFFAOYSA-N
XLogP2.94
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
1-[4-(3-chlorophenyl)piperazin-1-yl]propan-2-one
CID 60649957
1-(furan-2-yl)-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 62025348
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-pyridin-2-ylethanone
CID 72720536
2-[4-(3-chlorophenyl)piperazin-1-yl]-N,N-dimethylacetamide
CID 78787390
2-[4-(3-chlorophenyl)piperazin-1-yl]acetohydrazide
CID 12578869
1-(furan-2-yl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 55140385
1-(furan-2-yl)-2-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 43228329
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
4-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]benzoic acid
CID 751483
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-phenylacetamide
CID 6467969

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone (CID 62050562) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone is O=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccco1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone?
The InChIKey is KDGAQLKNRBPVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O2/c17-13-3-1-4-14(11-13)19-8-6-18(7-9-19)12-15(20)16-5-2-10-21-16/h1-5,10-11H,6-9,12H2.
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone?
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone has a molecular weight of 304.78 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone is sourced from PubChem (CID 62050562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).