1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one

C18H24FNO3 — CID 166282479

IUPAC1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one
SMILESCOc1cc(C2CN(C(=O)CCC3CC(OC)C3)C2)ccc1F
InChIInChI=1S/C18H24FNO3/c1-22-15-7-12(8-15)3-6-18(21)20-10-14(11-20)13-4-5-16(19)17(9-13)23-2/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3
InChIKeyZWYAZGOSBNAEAG-UHFFFAOYSA-N
MW321.39 g/mol
LogP2.97
Rot. Bonds6

About 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one

1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one (PubChem CID 166282479) has the molecular formula C18H24FNO3 and a molecular weight of 321.39 g/mol. Its IUPAC name is 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one.

Molecular Properties

Compound Name1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one
PubChem CID166282479
Molecular FormulaC18H24FNO3
Molecular Weight321.39 g/mol
Exact Mass321.17
IUPAC Name1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one
SMILESCOc1cc(C2CN(C(=O)CCC3CC(OC)C3)C2)ccc1F
InChIInChI=1S/C18H24FNO3/c1-22-15-7-12(8-15)3-6-18(21)20-10-14(11-20)13-4-5-16(19)17(9-13)23-2/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3
InChIKeyZWYAZGOSBNAEAG-UHFFFAOYSA-N
XLogP2.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

3-(4-fluoro-3-methoxyphenyl)azetidine-1-sulfonyl fluoride
CID 154880738
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
(4-fluoro-3-methoxyphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128982637
(5R)-5-[(4-fluoro-3-methoxyphenyl)methyl]-5-[3-[(3S)-3-(4-fluorophenyl)pyrrolidin-1-yl]-3-oxopropyl]pyrrolidin-2-one
CID 42434770
(4-fluoro-3-methoxyphenyl)-[(2S,4S)-4-methoxy-2-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 128989413
trans-(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropan-1-amine
CID 138987328
(2S,4S)-1-(4-fluoro-3-methoxybenzoyl)-4-methoxypyrrolidine-2-carboxamide
CID 128983612
[4-[(1S)-3-[(2S)-2-(4-fluoro-3-methoxyphenyl)propyl]cyclopentyl]phenyl]-[(3S)-3-hydroxypyrrolidin-1-yl]methanone
CID 159592094
1-[4-(5-chloro-2-methoxybenzoyl)-1,4-diazepan-1-yl]-3-cyclohexylpropan-1-one
CID 108546184
(4-cyclobutylphenyl)-(4-fluoro-3-methoxyphenyl)methanol
CID 115836236
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one?
The IUPAC name of 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one (CID 166282479) is 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one.
What is the SMILES notation for 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one?
The canonical SMILES for 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one is COc1cc(C2CN(C(=O)CCC3CC(OC)C3)C2)ccc1F.
What is the InChIKey of 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one?
The InChIKey is ZWYAZGOSBNAEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FNO3/c1-22-15-7-12(8-15)3-6-18(21)20-10-14(11-20)13-4-5-16(19)17(9-13)23-2/h4-5,9,12,14-15H,3,6-8,10-11H2,1-2H3.
What are the key properties of 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one?
1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one has a molecular weight of 321.39 g/mol, XLogP of 2.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-3-methoxyphenyl)azetidin-1-yl]-3-(3-methoxycyclobutyl)propan-1-one is sourced from PubChem (CID 166282479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).