8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

C26H27N3O — CID 15512235

IUPAC8-(1,2-dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1=CC(=CC=C1)N2CNC(=O)C23CCN(CC3)C4CC5=CC=CC6=C5C4=CC=C6
InChIInChI=1S/C26H27N3O/c1-18-5-2-9-21(15-18)29-17-27-25(30)26(29)11-13-28(14-12-26)23-16-20-8-3-6-19-7-4-10-22(23)24(19)20/h2-10,15,23H,11-14,16-17H2,1H3,(H,27,30)
InChIKeyOYPFPMBBUXREEU-UHFFFAOYSA-N
MW397.50 g/mol
LogP4.80
Rot. Bonds2

About 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one

8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 15512235) has the molecular formula C26H27N3O and a molecular weight of 397.50 g/mol. Its IUPAC name is 8-(1,2-dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID15512235
Molecular FormulaC26H27N3O
Molecular Weight397.50 g/mol
Exact Mass397.22
IUPAC Name8-(1,2-dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCC1=CC(=CC=C1)N2CNC(=O)C23CCN(CC3)C4CC5=CC=CC6=C5C4=CC=C6
InChIInChI=1S/C26H27N3O/c1-18-5-2-9-21(15-18)29-17-27-25(30)26(29)11-13-28(14-12-26)23-16-20-8-3-6-19-7-4-10-22(23)24(19)20/h2-10,15,23H,11-14,16-17H2,1H3,(H,27,30)
InChIKeyOYPFPMBBUXREEU-UHFFFAOYSA-N
XLogP4.80
TPSA35.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity657

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 15512235) is 8-(1,2-dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is CC1=CC(=CC=C1)N2CNC(=O)C23CCN(CC3)C4CC5=CC=CC6=C5C4=CC=C6.
What is the InChIKey of 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is OYPFPMBBUXREEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-18-5-2-9-21(15-18)29-17-27-25(30)26(29)11-13-28(14-12-26)23-16-20-8-3-6-19-7-4-10-22(23)24(19)20/h2-10,15,23H,11-14,16-17H2,1H3,(H,27,30).
What are the key properties of 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one?
8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 397.50 g/mol, XLogP of 4.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2-Dihydroacenaphthylen-1-yl)-1-(3-methylphenyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 15512235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).