[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone

C15H14Cl2N2O2 — CID 113080480

IUPAC[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyCGTOHYFSZMDQCH-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.55
Rot. Bonds2

About [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone

[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 113080480) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID113080480
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2
InChIKeyCGTOHYFSZMDQCH-UHFFFAOYSA-N
XLogP3.55
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
[4-(3-chloro-2-pyridinyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 47129924
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
[4-(2-chloro-4-pyrrol-1-ylphenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 91674750
N-[3-chloro-4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]furan-2-carboxamide
CID 3161475
2-(2,3-dichlorophenoxy)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 17249638
azepan-1-yl(furan-2-yl)methanone
CID 5200992
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(3-methoxy-1,2-oxazol-5-yl)methanone
CID 90573947
[4-(2,3-dichlorophenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113080481
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391
7-[4-(furan-2-carbonyl)piperazin-1-yl]-3H-1,3-benzoxazol-2-one
CID 110358026
1-(2,3-dichlorophenyl)-5-[[4-(furan-2-carbonyl)piperazin-1-yl]methylidene]-2-sulfanylidene-1,3-diazinane-4,6-dione
CID 3497077

Frequently Asked Questions

What is the IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 113080480) is [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2cccc(Cl)c2Cl)CC1.
What is the InChIKey of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is CGTOHYFSZMDQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-11-3-1-4-12(14(11)17)18-6-8-19(9-7-18)15(20)13-5-2-10-21-13/h1-5,10H,6-9H2.
What are the key properties of [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 325.19 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 113080480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).