2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

C21H23N3O2 — CID 131638275

IUPAC2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H23N3O2/c1-22-14-19(25)24(18-10-6-3-7-11-18)16-21(22)12-13-23(15-21)20(26)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyGTCSGFLWHBSJKL-UHFFFAOYSA-N
MW349.43 g/mol
LogP2.25
Rot. Bonds2

About 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one

2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 131638275) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

Compound Name2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
PubChem CID131638275
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
SMILESCN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C21H23N3O2/c1-22-14-19(25)24(18-10-6-3-7-11-18)16-21(22)12-13-23(15-21)20(26)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3
InChIKeyGTCSGFLWHBSJKL-UHFFFAOYSA-N
XLogP2.25
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-9-phenyl-2-(quinoline-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641720
6-methyl-2-(pyridine-4-carbonyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 134070557
2-(1-fluorocyclobutanecarbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131696189
2-(4-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131641884
2-(furan-2-carbonyl)-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155862799
(5R)-9-(3-fluorophenyl)-6-methyl-2-(naphthalene-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373560
6-methyl-9-phenyl-2-(pyridine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 171696056
N-cyclopentyl-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131649936
2-(3-chlorobenzoyl)-6-methyl-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
CID 131658107
6-methyl-9-phenyl-2-(pyrazolidine-3-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 134073025
(5R)-6-acetyl-2-(furan-3-carbonyl)-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one
CID 97373414
N-(4-ethylphenyl)-6-methyl-8-oxo-9-phenyl-2,6,9-triazaspiro[4.5]decane-2-carboxamide
CID 131655098

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The IUPAC name of 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one (CID 131638275) is 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one.
What is the SMILES notation for 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The canonical SMILES for 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is CN1CC(=O)N(c2ccccc2)CC12CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
The InChIKey is GTCSGFLWHBSJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-22-14-19(25)24(18-10-6-3-7-11-18)16-21(22)12-13-23(15-21)20(26)17-8-4-2-5-9-17/h2-11H,12-16H2,1H3.
What are the key properties of 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one?
2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 349.43 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-6-methyl-9-phenyl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 131638275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).