(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

C15H14Cl2N2O2 — CID 106685249

IUPAC(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)15(20)13-4-9-21-14(13)17/h1-4,9-10H,5-8H2
InChIKeyKBXDOTOITYZMEP-UHFFFAOYSA-N
MW325.19 g/mol
LogP3.55
Rot. Bonds2

About (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone

(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (PubChem CID 106685249) has the molecular formula C15H14Cl2N2O2 and a molecular weight of 325.19 g/mol. Its IUPAC name is (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
PubChem CID106685249
Molecular FormulaC15H14Cl2N2O2
Molecular Weight325.19 g/mol
Exact Mass324.04
IUPAC Name(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
SMILESO=C(c1ccoc1Cl)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)15(20)13-4-9-21-14(13)17/h1-4,9-10H,5-8H2
InChIKeyKBXDOTOITYZMEP-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-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 669410
(4-chloro-2-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 8967500
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
(2-chloro-5-fluorophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 71822560
(2-chlorofuran-3-yl)-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 106685645
[2-(aminomethyl)phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 110452050
[4-(3-chlorophenyl)piperazin-1-yl]-(5-phenyl-1,3-oxazol-4-yl)methanone
CID 11360631
[4-(3-chlorophenyl)piperazin-1-yl]-(4-fluoro-2-iodophenyl)methanone
CID 39717758
[4-(3-chlorophenyl)piperazin-1-yl]-(4-methyl-1,2,5-oxadiazol-3-yl)methanone
CID 110691904
[4-(3-chlorophenyl)piperazin-1-yl]-(2-nitrophenyl)methanone
CID 739922
3-[4-(3-chlorophenyl)piperazine-1-carbonyl]-1-methylpyridin-2-one
CID 110692830
(4-bromophenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069932

Frequently Asked Questions

What is the IUPAC name of (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The IUPAC name of (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone (CID 106685249) is (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone.
What is the SMILES notation for (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The canonical SMILES for (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is O=C(c1ccoc1Cl)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
The InChIKey is KBXDOTOITYZMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N2O2/c16-11-2-1-3-12(10-11)18-5-7-19(8-6-18)15(20)13-4-9-21-14(13)17/h1-4,9-10H,5-8H2.
What are the key properties of (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone?
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-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 (2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 106685249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).