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

C16H17FN2O2 — CID 1112875

IUPAC(3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)16(20)19-8-6-18(7-9-19)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyAECDRDLUBAOEPU-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.38
Rot. Bonds3

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

(3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (PubChem CID 1112875) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
PubChem CID1112875
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name(3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1
InChIInChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)16(20)19-8-6-18(7-9-19)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2
InChIKeyAECDRDLUBAOEPU-UHFFFAOYSA-N
XLogP2.38
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone (CID 1112875) is (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(Cc2ccco2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
The InChIKey is AECDRDLUBAOEPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c17-14-4-1-3-13(11-14)16(20)19-8-6-18(7-9-19)12-15-5-2-10-21-15/h1-5,10-11H,6-9,12H2.
What are the key properties of (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone?
(3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone has a molecular weight of 288.32 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorophenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 1112875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).