9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

C22H24N2O2 — CID 162635147

IUPAC9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-23-15-5-13-22(21(23)26)14-6-16-24(22)20(25)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyLPJMYTJQRDMXIN-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.58
Rot. Bonds2

About 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one

9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162635147) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162635147
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCN1CCCC2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1=O
InChIInChI=1S/C22H24N2O2/c1-23-15-5-13-22(21(23)26)14-6-16-24(22)20(25)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3
InChIKeyLPJMYTJQRDMXIN-UHFFFAOYSA-N
XLogP3.58
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-difluorobenzoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162629447
9-methyl-1-(quinoline-6-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162633720
1-(1-tert-butylpyrrole-3-carbonyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 163309328
1-(3,3-diphenylpropanoyl)-9-methyl-1,9-diazaspiro[4.5]decan-10-one
CID 162636157
9-methyl-1-(5-methylpyridine-3-carbonyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163316091
9-methyl-1-(2-phenoxyacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164698220
9-methyl-1-(3-methyl-3-phenylbutanoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631432
9-methyl-1-[3-(4-methylphenyl)-1H-pyrazole-5-carbonyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162629499
1-(4-tert-butylbenzoyl)-9-cyclopropyl-1,9-diazaspiro[4.5]decan-10-one
CID 162628244
1-(4-methoxybenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162638072
formic acid;9-methyl-1-[2-(2-oxo-1-pyridinyl)acetyl]-1,9-diazaspiro[4.5]decan-10-one
CID 166598201
9-benzyl-1-(4-fluoro-3-methylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162625491

Frequently Asked Questions

What is the IUPAC name of 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162635147) is 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is CN1CCCC2(CCCN2C(=O)c2ccc(-c3ccccc3)cc2)C1=O.
What is the InChIKey of 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is LPJMYTJQRDMXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-23-15-5-13-22(21(23)26)14-6-16-24(22)20(25)19-11-9-18(10-12-19)17-7-3-2-4-8-17/h2-4,7-12H,5-6,13-16H2,1H3.
What are the key properties of 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one?
9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 348.45 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1-(4-phenylbenzoyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162635147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).