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

C24H28N2O3 — CID 97268865

IUPAC2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H28N2O3/c1-19(29-21-10-6-3-7-11-21)23(28)25-14-12-24(13-15-25)16-22(27)26(18-24)17-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1
InChIKeyBHLSDZSIYFUUJZ-LJQANCHMSA-N
MW392.50 g/mol
LogP3.50
Rot. Bonds5

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

2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 97268865) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
PubChem CID97268865
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
SMILESC[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C24H28N2O3/c1-19(29-21-10-6-3-7-11-21)23(28)25-14-12-24(13-15-25)16-22(27)26(18-24)17-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1
InChIKeyBHLSDZSIYFUUJZ-LJQANCHMSA-N
XLogP3.50
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one with MolForge

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Related Compounds

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-benzyl-8-(4-methylpiperazine-1-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70746596
2-benzyl-9-[(2S)-2-methylsulfanylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 97152355
2-[(3,5-difluorophenyl)methyl]-8-[(2S)-2-methoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97191342
2-benzyl-9-(2-ethylsulfanylpropanoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922405
2-benzyl-9-[3-(dimethylamino)-2-methylpropanoyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72937334
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
8-[(2S)-3-hydroxy-2-(methylamino)propanoyl]-2-[(3-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70769440
1-(2-phenoxypropanoyl)-4-phenylpiperidine-4-carboxylic acid
CID 45433322
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 70787556
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one (CID 97268865) is 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one is C[C@@H](Oc1ccccc1)C(=O)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is BHLSDZSIYFUUJZ-LJQANCHMSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-19(29-21-10-6-3-7-11-21)23(28)25-14-12-24(13-15-25)16-22(27)26(18-24)17-20-8-4-2-5-9-20/h2-11,19H,12-18H2,1H3/t19-/m1/s1.
What are the key properties of 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 392.50 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 97268865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).