[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

C21H25FN2O3 — CID 90650035

IUPAC[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCC1CCN(Cc2ccc(C(=O)N3CC(Oc4ccc(F)cc4)C3)o2)CC1
InChIInChI=1S/C21H25FN2O3/c1-15-8-10-23(11-9-15)12-18-6-7-20(27-18)21(25)24-13-19(14-24)26-17-4-2-16(22)3-5-17/h2-7,15,19H,8-14H2,1H3
InChIKeyJBYAJEDVRNXFRA-UHFFFAOYSA-N
MW372.44 g/mol
LogP3.55
Rot. Bonds5

About [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone

[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (PubChem CID 90650035) has the molecular formula C21H25FN2O3 and a molecular weight of 372.44 g/mol. Its IUPAC name is [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.

Molecular Properties

Compound Name[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
PubChem CID90650035
Molecular FormulaC21H25FN2O3
Molecular Weight372.44 g/mol
Exact Mass372.18
IUPAC Name[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone
SMILESCC1CCN(Cc2ccc(C(=O)N3CC(Oc4ccc(F)cc4)C3)o2)CC1
InChIInChI=1S/C21H25FN2O3/c1-15-8-10-23(11-9-15)12-18-6-7-20(27-18)21(25)24-13-19(14-24)26-17-4-2-16(22)3-5-17/h2-7,15,19H,8-14H2,1H3
InChIKeyJBYAJEDVRNXFRA-UHFFFAOYSA-N
XLogP3.55
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.44
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-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-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The IUPAC name of [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone (CID 90650035) is [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone.
What is the SMILES notation for [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The canonical SMILES for [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is CC1CCN(Cc2ccc(C(=O)N3CC(Oc4ccc(F)cc4)C3)o2)CC1.
What is the InChIKey of [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
The InChIKey is JBYAJEDVRNXFRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN2O3/c1-15-8-10-23(11-9-15)12-18-6-7-20(27-18)21(25)24-13-19(14-24)26-17-4-2-16(22)3-5-17/h2-7,15,19H,8-14H2,1H3.
What are the key properties of [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone?
[3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone has a molecular weight of 372.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenoxy)azetidin-1-yl]-[5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methanone is sourced from PubChem (CID 90650035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).