[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H18FN3O2 — CID 51193185

IUPAC[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18FN3O2/c21-16-6-4-15(5-7-16)17-8-9-18(26-17)20(25)24-13-11-23(12-14-24)19-3-1-2-10-22-19/h1-10H,11-14H2
InChIKeyBCEWLUMJSYYUNW-UHFFFAOYSA-N
MW351.38 g/mol
LogP3.44
Rot. Bonds3

About [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 51193185) has the molecular formula C20H18FN3O2 and a molecular weight of 351.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID51193185
Molecular FormulaC20H18FN3O2
Molecular Weight351.38 g/mol
Exact Mass351.14
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18FN3O2/c21-16-6-4-15(5-7-16)17-8-9-18(26-17)20(25)24-13-11-23(12-14-24)19-3-1-2-10-22-19/h1-10H,11-14H2
InChIKeyBCEWLUMJSYYUNW-UHFFFAOYSA-N
XLogP3.44
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.38
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-fluorophenyl)furan-2-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 17447640
[4-(2-ethoxyphenyl)piperazin-1-yl]-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 35514584
5-(4-fluorophenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one
CID 53180479
[5-(4-fluorophenyl)furan-2-yl]-morpholin-4-ylmethanone
CID 4307207
[5-(4-fluorophenyl)furan-2-yl]-[4-(3-methylphenyl)piperazin-1-yl]methanone
CID 18282964
furan-2-yl-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 759046
1-[[5-(4-pyridin-2-ylpiperazine-1-carbonyl)furan-2-yl]methyl]pyridin-2-one
CID 134024324
3-(4-fluorophenyl)-2-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 48846750
(4-benzylpiperazin-4-ium-1-yl)-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 9071291
[2-[(4-fluorophenyl)methylamino]-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109170652
1,4-diazepan-1-yl-[5-(4-fluorophenyl)furan-2-yl]methanone
CID 94296837
(5-phenyl-1,3,4-oxadiazol-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 110390914

Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 51193185) is [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(-c2ccc(F)cc2)o1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is BCEWLUMJSYYUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2/c21-16-6-4-15(5-7-16)17-8-9-18(26-17)20(25)24-13-11-23(12-14-24)19-3-1-2-10-22-19/h1-10H,11-14H2.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 351.38 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 51193185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).