(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

C22H28FN3O2 — CID 24791452

IUPAC(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1
InChIInChI=1S/C22H28FN3O2/c1-16-14-21(17(2)28-16)22(27)26-9-3-4-20(15-26)25-12-10-24(11-13-25)19-7-5-18(23)6-8-19/h5-8,14,20H,3-4,9-13,15H2,1-2H3
InChIKeyXSUWGCBMEZEBBT-UHFFFAOYSA-N
MW385.48 g/mol
LogP3.46
Rot. Bonds3

About (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone

(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (PubChem CID 24791452) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
PubChem CID24791452
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1
InChIInChI=1S/C22H28FN3O2/c1-16-14-21(17(2)28-16)22(27)26-9-3-4-20(15-26)25-12-10-24(11-13-25)19-7-5-18(23)6-8-19/h5-8,14,20H,3-4,9-13,15H2,1-2H3
InChIKeyXSUWGCBMEZEBBT-UHFFFAOYSA-N
XLogP3.46
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone (CID 24791452) is (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCCC(N3CCN(c4ccc(F)cc4)CC3)C2)c(C)o1.
What is the InChIKey of (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
The InChIKey is XSUWGCBMEZEBBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-16-14-21(17(2)28-16)22(27)26-9-3-4-20(15-26)25-12-10-24(11-13-25)19-7-5-18(23)6-8-19/h5-8,14,20H,3-4,9-13,15H2,1-2H3.
What are the key properties of (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone?
(2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone has a molecular weight of 385.48 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylfuran-3-yl)-[3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 24791452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).