1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one

C23H29N3O — CID 14968318

IUPAC1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O/c27-22-23(26(19-24-22)21-12-5-2-6-13-21)14-17-25(18-15-23)16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-13H,7-8,11,14-19H2,(H,24,27)
InChIKeySPPBTNFMHDABPE-UHFFFAOYSA-N
MW363.50 g/mol
LogP3.44
Rot. Bonds6

About 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 14968318) has the molecular formula C23H29N3O and a molecular weight of 363.50 g/mol. Its IUPAC name is 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID14968318
Molecular FormulaC23H29N3O
Molecular Weight363.50 g/mol
Exact Mass363.23
IUPAC Name1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCCc1ccccc1)CC2
InChIInChI=1S/C23H29N3O/c27-22-23(26(19-24-22)21-12-5-2-6-13-21)14-17-25(18-15-23)16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-13H,7-8,11,14-19H2,(H,24,27)
InChIKeySPPBTNFMHDABPE-UHFFFAOYSA-N
XLogP3.44
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.50
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-phenyl-8-(4-phenylbutyl)-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 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 14968318) is 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CCCCc1ccccc1)CC2.
What is the InChIKey of 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is SPPBTNFMHDABPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O/c27-22-23(26(19-24-22)21-12-5-2-6-13-21)14-17-25(18-15-23)16-8-7-11-20-9-3-1-4-10-20/h1-6,9-10,12-13H,7-8,11,14-19H2,(H,24,27).
What are the key properties of 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 363.50 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(4-phenylbutyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 14968318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).