2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

C20H24N4O2 — CID 70787556

IUPAC2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(Cn1ccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C20H24N4O2/c25-18-12-20(15-24(18)13-17-4-2-1-3-5-17)6-9-23(10-7-20)19(26)14-22-11-8-21-16-22/h1-5,8,11,16H,6-7,9-10,12-15H2
InChIKeyZBGVXSILTWCLNW-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.92
Rot. Bonds4

About 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one

2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 70787556) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
PubChem CID70787556
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
SMILESO=C(Cn1ccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2
InChIInChI=1S/C20H24N4O2/c25-18-12-20(15-24(18)13-17-4-2-1-3-5-17)6-9-23(10-7-20)19(26)14-22-11-8-21-16-22/h1-5,8,11,16H,6-7,9-10,12-15H2
InChIKeyZBGVXSILTWCLNW-UHFFFAOYSA-N
XLogP1.92
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chlorophenyl)methyl]-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72841661
2-benzyl-8-[2-(2-oxopyrimidin-1-yl)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70740477
2-benzyl-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 72853673
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-8-[3-(1-methylpyrazol-4-yl)propanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 72847524
2-benzyl-8-[2-(2-methylphenoxy)acetyl]-2,8-diazaspiro[4.5]decan-3-one
CID 70750695
1-(4-benzylpiperidin-1-yl)-2-imidazol-1-ylethanone
CID 110855809
2-benzyl-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-3-one
CID 70746319
2-benzyl-8-[(2R)-2-phenoxypropanoyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97268865
4-benzyl-3-ethyl-1-(2-imidazol-1-ylacetyl)-1,4-diazepan-5-one
CID 56864113

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The IUPAC name of 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one (CID 70787556) is 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is O=C(Cn1ccnc1)N1CCC2(CC1)CC(=O)N(Cc1ccccc1)C2.
What is the InChIKey of 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
The InChIKey is ZBGVXSILTWCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c25-18-12-20(15-24(18)13-17-4-2-1-3-5-17)6-9-23(10-7-20)19(26)14-22-11-8-21-16-22/h1-5,8,11,16H,6-7,9-10,12-15H2.
What are the key properties of 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one?
2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 352.44 g/mol, XLogP of 1.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-(2-imidazol-1-ylacetyl)-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 70787556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).