2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

C22H22F2N2O2 — CID 72838673

IUPAC2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3F)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H22F2N2O2/c23-18-8-4-7-17(20(18)24)21(28)25-11-9-22(10-12-25)13-19(27)26(15-22)14-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyGMKAASVYZYLWTK-UHFFFAOYSA-N
MW384.43 g/mol
LogP3.62
Rot. Bonds3

About 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72838673) has the molecular formula C22H22F2N2O2 and a molecular weight of 384.43 g/mol. Its IUPAC name is 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID72838673
Molecular FormulaC22H22F2N2O2
Molecular Weight384.43 g/mol
Exact Mass384.16
IUPAC Name2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C1CC2(CCN(C(=O)c3cccc(F)c3F)CC2)CN1Cc1ccccc1
InChIInChI=1S/C22H22F2N2O2/c23-18-8-4-7-17(20(18)24)21(28)25-11-9-22(10-12-25)13-19(27)26(15-22)14-16-5-2-1-3-6-16/h1-8H,9-15H2
InChIKeyGMKAASVYZYLWTK-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.43
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
8-(4,6-dichloropyridine-3-carbonyl)-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155870779
2-benzyl-9-(2-ethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72911476
2-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one
CID 72877372
8-[(2S)-2-amino-3-phenylpropanoyl]-2-benzyl-2,8-diazaspiro[4.5]decan-3-one;hydrochloride
CID 154899933
2-[(3-fluorophenyl)methyl]-8-[3-(2-fluorophenyl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873502
2-[(3-fluorophenyl)methyl]-8-(1H-pyrrole-3-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 131686668
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
(2,3-difluorophenyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
CID 79036846
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
2-[(3-fluorophenyl)methyl]-8-[4-(methoxymethyl)benzoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 155873955

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one (CID 72838673) is 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one is O=C1CC2(CCN(C(=O)c3cccc(F)c3F)CC2)CN1Cc1ccccc1.
What is the InChIKey of 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is GMKAASVYZYLWTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N2O2/c23-18-8-4-7-17(20(18)24)21(28)25-11-9-22(10-12-25)13-19(27)26(15-22)14-16-5-2-1-3-6-16/h1-8H,9-15H2.
What are the key properties of 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 384.43 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(2,3-difluorobenzoyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72838673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).