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

C15H15ClN2O2 — CID 669410

IUPAC[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-4-13(11-12)17-6-8-18(9-7-17)15(19)14-5-2-10-20-14/h1-5,10-11H,6-9H2
InChIKeyWJKUXKUPAAAEHQ-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.90
Rot. Bonds2

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

[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone (PubChem CID 669410) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
PubChem CID669410
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H15ClN2O2/c16-12-3-1-4-13(11-12)17-6-8-18(9-7-17)15(19)14-5-2-10-20-14/h1-5,10-11H,6-9H2
InChIKeyWJKUXKUPAAAEHQ-UHFFFAOYSA-N
XLogP2.90
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[4-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1088826
2-[4-(3-chlorophenyl)piperazin-1-yl]-1-(furan-2-yl)ethanone
CID 62050562
(2-chlorofuran-3-yl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 106685249
N-[(2R)-1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxopropan-2-yl]furan-2-carboxamide
CID 2576347
[3-[4-(3-chlorophenyl)piperazine-1-carbonyl]phenyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 1069884
[4-(2,3-dichlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 113080480
[4-(2,6-dichlorobenzoyl)piperazin-1-yl]-(furan-2-yl)methanone
CID 7342085
furan-2-yl-[4-[2-(pyrrolidine-1-carbonyl)-4-pyridinyl]piperazin-1-yl]methanone
CID 109203676
2-(3-chloroanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 109004656
3-chloro-N-[2-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl]benzamide
CID 1456391
N-[1-[4-(3-chlorophenyl)piperazin-1-yl]-1-oxo-3-phenylpropan-2-yl]furan-2-carboxamide
CID 46559911
[4-(3,5-dichloropyridin-1-ium-2-yl)piperazin-1-yl]-(furan-2-yl)methanone
CID 6987485

Frequently Asked Questions

What is the IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone (CID 669410) is [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CCN(c2cccc(Cl)c2)CC1.
What is the InChIKey of [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
The InChIKey is WJKUXKUPAAAEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-3-1-4-13(11-12)17-6-8-18(9-7-17)15(19)14-5-2-10-20-14/h1-5,10-11H,6-9H2.
What are the key properties of [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone?
[4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone has a molecular weight of 290.75 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-chlorophenyl)piperazin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 669410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).