1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

C18H25FN2O — CID 97411931

IUPAC1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CCN(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)17(22)21-12-18(13-21)7-9-20(10-8-18)11-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3
InChIKeyLXCCGILLHYYWOM-UHFFFAOYSA-N
MW304.41 g/mol
LogP2.91
Rot. Bonds3

About 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one

1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (PubChem CID 97411931) has the molecular formula C18H25FN2O and a molecular weight of 304.41 g/mol. Its IUPAC name is 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
PubChem CID97411931
Molecular FormulaC18H25FN2O
Molecular Weight304.41 g/mol
Exact Mass304.20
IUPAC Name1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC2(CCN(Cc3ccccc3F)CC2)C1
InChIInChI=1S/C18H25FN2O/c1-14(2)17(22)21-12-18(13-21)7-9-20(10-8-18)11-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3
InChIKeyLXCCGILLHYYWOM-UHFFFAOYSA-N
XLogP2.91
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.41
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one with MolForge

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-2-oxoacetic acid
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1-[(2-fluorophenyl)methyl]-4-phenylpiperidine-4-carboxylic acid
CID 91252279
1-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-2-methylpropan-1-one
CID 110412011
1-[(2-fluorophenyl)methyl]-4-methylpiperidin-4-amine
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3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
1-[(2-fluorophenyl)methyl]azepane;oxalic acid
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2-(2-fluorophenyl)-1-(8-methyl-2,8-diazaspiro[4.5]decan-2-yl)ethanone
CID 112534302
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25450891
1-[(2-fluorophenyl)methyl]-4-(methylaminomethyl)piperidin-4-ol
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1-[(2-fluorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one (CID 97411931) is 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC2(CCN(Cc3ccccc3F)CC2)C1.
What is the InChIKey of 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
The InChIKey is LXCCGILLHYYWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O/c1-14(2)17(22)21-12-18(13-21)7-9-20(10-8-18)11-15-5-3-4-6-16(15)19/h3-6,14H,7-13H2,1-2H3.
What are the key properties of 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one?
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one has a molecular weight of 304.41 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one is sourced from PubChem (CID 97411931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).