[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

C16H14Cl2N2O3 — CID 7342085

IUPAC[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-1-4-12(18)14(11)16(22)20-8-6-19(7-9-20)15(21)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyMKYABGGONWNRHE-UHFFFAOYSA-N
MW353.20 g/mol
LogP3.18
Rot. Bonds2

About [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 7342085) has the molecular formula C16H14Cl2N2O3 and a molecular weight of 353.20 g/mol. Its IUPAC name is [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID7342085
Molecular FormulaC16H14Cl2N2O3
Molecular Weight353.20 g/mol
Exact Mass352.04
IUPAC Name[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C16H14Cl2N2O3/c17-11-3-1-4-12(18)14(11)16(22)20-8-6-19(7-9-20)15(21)13-5-2-10-23-13/h1-5,10H,6-9H2
InChIKeyMKYABGGONWNRHE-UHFFFAOYSA-N
XLogP3.18
TPSA53.76 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.20
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
2-chloro-6-fluoro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]ethyl]benzamide
CID 110397684
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
azepan-1-yl-(2,6-dichlorophenyl)methanone
CID 644555
[4-(8-chloronaphthalen-1-yl)sulfonylpiperazin-1-yl]-(furan-2-yl)methanone
CID 3264511
[4-(5-chlorothiophene-2-carbonyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 38911129
2-(2,3-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 17249638
1-[4-(furan-2-carbonyl)piperazin-1-yl]-2,2-dimethyl-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108958407
(4-cyclopropylidenepiperidin-1-yl)-(furan-2-yl)methanone
CID 121184150
furan-2-yl(thiomorpholin-4-yl)methanone
CID 2804982

Frequently Asked Questions

What is the IUPAC name of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 7342085) is [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(C(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is MKYABGGONWNRHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N2O3/c17-11-3-1-4-12(18)14(11)16(22)20-8-6-19(7-9-20)15(21)13-5-2-10-23-13/h1-5,10H,6-9H2.
What are the key properties of [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 353.20 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 7342085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).