(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

C20H24FNO4 — CID 125162628

IUPAC(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(OCc3cccc(F)c3)C2)C2(CCCCC2)O1
InChIInChI=1S/C20H24FNO4/c21-15-6-4-5-14(9-15)13-25-16-11-22(12-16)19(24)17-10-18(23)26-20(17)7-2-1-3-8-20/h4-6,9,16-17H,1-3,7-8,10-13H2/t17-/m0/s1
InChIKeySRILXBGJXPHSPN-KRWDZBQOSA-N
MW361.41 g/mol
LogP2.82
Rot. Bonds4

About (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one

(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (PubChem CID 125162628) has the molecular formula C20H24FNO4 and a molecular weight of 361.41 g/mol. Its IUPAC name is (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
PubChem CID125162628
Molecular FormulaC20H24FNO4
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC Name(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
SMILESO=C1C[C@@H](C(=O)N2CC(OCc3cccc(F)c3)C2)C2(CCCCC2)O1
InChIInChI=1S/C20H24FNO4/c21-15-6-4-5-14(9-15)13-25-16-11-22(12-16)19(24)17-10-18(23)26-20(17)7-2-1-3-8-20/h4-6,9,16-17H,1-3,7-8,10-13H2/t17-/m0/s1
InChIKeySRILXBGJXPHSPN-KRWDZBQOSA-N
XLogP2.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one with MolForge

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Related Compounds

(4R)-4-[3-(2-chlorophenoxy)azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 96577029
4-[4-(4-fluorophenoxy)piperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 118784215
3-[(3-fluorophenyl)methoxy]-N-prop-2-enylazetidine-1-carboxamide
CID 21345151
6-[(3-fluorophenyl)methoxy]-3-oxo-4-prop-2-enyl-1,4-diazepane-1-carboxylic acid
CID 122540064
5-benzyl-5-[1-(2-oxo-1-oxaspiro[4.5]decane-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45231104
(4S)-4-[4-(2-fluoro-3-pyridinyl)-4-hydroxypiperidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one
CID 95800999
(3,4-dichlorophenyl)-[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]methanone
CID 42844152
6-[(3-fluorophenyl)methoxy]-1-(2-phenylethyl)-4-(pyridine-2-carbonyl)-1,4-diazepan-2-one
CID 45165286
N-benzyl-2-oxo-1-oxaspiro[4.5]decane-4-carboxamide
CID 3077984
(4R)-N-[[4-(3-fluorophenyl)oxan-4-yl]methyl]-2-oxo-1-oxaspiro[4.4]nonane-4-carboxamide
CID 125157021
(6R)-6-[(3-fluorophenyl)methoxy]-4-(5-methylpyrazine-2-carbonyl)-1-(2-phenylethyl)-1,4-diazepan-2-one
CID 26233712
[3-[(3-fluorophenyl)methoxy]piperidin-1-yl]-(4-methylphenyl)methanone
CID 42844148

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The IUPAC name of (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one (CID 125162628) is (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one.
What is the SMILES notation for (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The canonical SMILES for (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is O=C1C[C@@H](C(=O)N2CC(OCc3cccc(F)c3)C2)C2(CCCCC2)O1.
What is the InChIKey of (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
The InChIKey is SRILXBGJXPHSPN-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H24FNO4/c21-15-6-4-5-14(9-15)13-25-16-11-22(12-16)19(24)17-10-18(23)26-20(17)7-2-1-3-8-20/h4-6,9,16-17H,1-3,7-8,10-13H2/t17-/m0/s1.
What are the key properties of (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one?
(4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one has a molecular weight of 361.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-[(3-fluorophenyl)methoxy]azetidine-1-carbonyl]-1-oxaspiro[4.5]decan-2-one is sourced from PubChem (CID 125162628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).