1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one

C18H25FN2O2 — CID 118740975

IUPAC1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C18H25FN2O2/c1-23-10-5-17(22)21-9-7-18(14-21)6-8-20(13-18)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-14H2,1H3
InChIKeyGFRWLQZWFKRBOI-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.29
Rot. Bonds5

About 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one

1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one (PubChem CID 118740975) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one.

Molecular Properties

Compound Name1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one
PubChem CID118740975
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one
SMILESCOCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C18H25FN2O2/c1-23-10-5-17(22)21-9-7-18(14-21)6-8-20(13-18)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-14H2,1H3
InChIKeyGFRWLQZWFKRBOI-UHFFFAOYSA-N
XLogP2.29
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-{7-Benzyl-2,7-diazaspiro[4.4]nonan-2-yl}prop-2-en-1-one
CID 132317810
1-[(4-Fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 46705212
1-[(2-Fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 46705254
N-[(4-fluorophenyl)methyl]-3-methyl-1-propanoylpyrrolidine-3-carboxamide
CID 49786409
1-[(4-Fluorophenyl)methyl]-3-[4-(3-methoxypropanoyl)-1,4-diazepan-1-YL]pyrrolidin-2-one
CID 53195098
2-[(5R,9R)-7-[(3-fluorophenyl)methyl]-9-methyl-1-oxo-2,7-diazaspiro[4.4]nonan-2-yl]-N,N-dimethylacetamide
CID 97392326
1-[8-[(3-Fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-3-methoxypropan-1-one
CID 97449568
Cyclopent-3-en-1-yl-[8-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methanone
CID 97449570
3-Methoxy-1-[8-[(4-methylphenyl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]propan-1-one
CID 97449603
1-[9-[(3-Fluorophenyl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-methoxypropan-1-one
CID 97450362
1-[2-[(3-Fluorophenyl)methyl]-2,7-diazaspiro[3.4]octan-7-yl]-3-methoxypropan-1-one
CID 97472448
(3aR,6aS)-2-[(4-fluorophenyl)methyl]-5-(2-methoxyethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
CID 97507514

Frequently Asked Questions

What is the IUPAC name of 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one?
The IUPAC name of 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one (CID 118740975) is 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one.
What is the SMILES notation for 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one?
The canonical SMILES for 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one is COCCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)C2)C1.
What is the InChIKey of 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one?
The InChIKey is GFRWLQZWFKRBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-23-10-5-17(22)21-9-7-18(14-21)6-8-20(13-18)12-15-3-2-4-16(19)11-15/h2-4,11H,5-10,12-14H2,1H3.
What are the key properties of 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one?
1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one has a molecular weight of 320.41 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-2-yl]-3-methoxypropan-1-one is sourced from PubChem (CID 118740975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).