[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

C22H21FN2O2 — CID 42919519

IUPAC[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C(c2ccccc2)C1
InChIInChI=1S/C22H21FN2O2/c1-24-13-14-25(19(15-24)16-5-3-2-4-6-16)22(26)21-12-11-20(27-21)17-7-9-18(23)10-8-17/h2-12,19H,13-15H2,1H3
InChIKeyFVOPLDLRLKAKNS-UHFFFAOYSA-N
MW364.42 g/mol
LogP4.21
Rot. Bonds3

About [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone

[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (PubChem CID 42919519) has the molecular formula C22H21FN2O2 and a molecular weight of 364.42 g/mol. Its IUPAC name is [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
PubChem CID42919519
Molecular FormulaC22H21FN2O2
Molecular Weight364.42 g/mol
Exact Mass364.16
IUPAC Name[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C(c2ccccc2)C1
InChIInChI=1S/C22H21FN2O2/c1-24-13-14-25(19(15-24)16-5-3-2-4-6-16)22(26)21-12-11-20(27-21)17-7-9-18(23)10-8-17/h2-12,19H,13-15H2,1H3
InChIKeyFVOPLDLRLKAKNS-UHFFFAOYSA-N
XLogP4.21
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.42
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone (CID 42919519) is [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C(c2ccccc2)C1.
What is the InChIKey of [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
The InChIKey is FVOPLDLRLKAKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O2/c1-24-13-14-25(19(15-24)16-5-3-2-4-6-16)22(26)21-12-11-20(27-21)17-7-9-18(23)10-8-17/h2-12,19H,13-15H2,1H3.
What are the key properties of [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone?
[5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone has a molecular weight of 364.42 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)furan-2-yl]-(4-methyl-2-phenylpiperazin-1-yl)methanone is sourced from PubChem (CID 42919519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).