1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone

C15H22FN3O — CID 142022938

IUPAC1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N2CCN(C3=CC=C(F)CC3)CC2)C1
InChIInChI=1S/C15H22FN3O/c1-12(20)19-10-15(11-19)18-8-6-17(7-9-18)14-4-2-13(16)3-5-14/h2,4,15H,3,5-11H2,1H3
InChIKeyXIFKDOQKFXQHAG-UHFFFAOYSA-N
MW279.36 g/mol
LogP1.37
Rot. Bonds2

About 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone

1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone (PubChem CID 142022938) has the molecular formula C15H22FN3O and a molecular weight of 279.36 g/mol. Its IUPAC name is 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone
PubChem CID142022938
Molecular FormulaC15H22FN3O
Molecular Weight279.36 g/mol
Exact Mass279.17
IUPAC Name1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone
SMILESCC(=O)N1CC(N2CCN(C3=CC=C(F)CC3)CC2)C1
InChIInChI=1S/C15H22FN3O/c1-12(20)19-10-15(11-19)18-8-6-17(7-9-18)14-4-2-13(16)3-5-14/h2,4,15H,3,5-11H2,1H3
InChIKeyXIFKDOQKFXQHAG-UHFFFAOYSA-N
XLogP1.37
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone 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 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone (CID 142022938) is 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone is CC(=O)N1CC(N2CCN(C3=CC=C(F)CC3)CC2)C1.
What is the InChIKey of 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone?
The InChIKey is XIFKDOQKFXQHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O/c1-12(20)19-10-15(11-19)18-8-6-17(7-9-18)14-4-2-13(16)3-5-14/h2,4,15H,3,5-11H2,1H3.
What are the key properties of 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone?
1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone has a molecular weight of 279.36 g/mol, XLogP of 1.37, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(4-fluorocyclohexa-1,3-dien-1-yl)piperazin-1-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 142022938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).