2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

C24H26F2N2O2 — CID 155873502

IUPAC2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccccc1F)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2
InChIInChI=1S/C24H26F2N2O2/c25-20-6-3-4-18(14-20)16-28-17-24(15-23(28)30)10-12-27(13-11-24)22(29)9-8-19-5-1-2-7-21(19)26/h1-7,14H,8-13,15-17H2
InChIKeyVVKSVGWWXROMNZ-UHFFFAOYSA-N
MW412.48 g/mol
LogP3.94
Rot. Bonds5

About 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one

2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 155873502) has the molecular formula C24H26F2N2O2 and a molecular weight of 412.48 g/mol. Its IUPAC name is 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID155873502
Molecular FormulaC24H26F2N2O2
Molecular Weight412.48 g/mol
Exact Mass412.20
IUPAC Name2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(CCc1ccccc1F)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2
InChIInChI=1S/C24H26F2N2O2/c25-20-6-3-4-18(14-20)16-28-17-24(15-23(28)30)10-12-27(13-11-24)22(29)9-8-19-5-1-2-7-21(19)26/h1-7,14H,8-13,15-17H2
InChIKeyVVKSVGWWXROMNZ-UHFFFAOYSA-N
XLogP3.94
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
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2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873955
8-(4,6-dichloropyridine-3-carbonyl)-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870779
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
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2-[(3,4-difluorophenyl)methyl]-8-(3-methylsulfanylpropanoyl)-2,8-diazaspiro[4.5]decan-3-one
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2-benzyl-8-[3-(1-methylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
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2-[(3,5-difluorophenyl)methyl]-8-pent-3-enoyl-2,8-diazaspiro[4.5]decan-3-one
CID 91940537
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-(4,4-dimethoxypiperidin-1-yl)-3-(2-fluorophenyl)propan-1-one
CID 112534879
8-[(2-fluorophenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-3-one
CID 98895518
8-(cyclopropanecarbonyl)-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
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Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 155873502) is 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one is O=C(CCc1ccccc1F)N1CCC2(CC1)CC(=O)N(Cc1cccc(F)c1)C2.
What is the InChIKey of 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is VVKSVGWWXROMNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N2O2/c25-20-6-3-4-18(14-20)16-28-17-24(15-23(28)30)10-12-27(13-11-24)22(29)9-8-19-5-1-2-7-21(19)26/h1-7,14H,8-13,15-17H2.
What are the key properties of 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 412.48 g/mol, XLogP of 3.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 155873502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).