8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C24H37N3O — CID 19347356

IUPAC8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCC1)CC2
InChIInChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
InChIKeyWYXUUABTWQUFBQ-UHFFFAOYSA-N
MW383.58 g/mol
LogP4.70
Rot. Bonds2

About 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 19347356) has the molecular formula C24H37N3O and a molecular weight of 383.58 g/mol. Its IUPAC name is 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID19347356
Molecular FormulaC24H37N3O
Molecular Weight383.58 g/mol
Exact Mass383.29
IUPAC Name8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCC1)CC2
InChIInChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28)
InChIKeyWYXUUABTWQUFBQ-UHFFFAOYSA-N
XLogP4.70
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-cycloundecyl-1-phenyl-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

Related Compounds

Fluspirilene
CID 3396
1-Phenyl-1,3,8-triazaspiro(4.5)decan-4-one
CID 70556
1,3,8-Triazaspiro(4.5)decan-4-one, 8-(4-(p-fluorophenyl)butyl)-1-phenyl-
CID 120580
R-6890 (spirochlorphine)
CID 14783734
8-(Diphenylmethyl)-3-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 10158555
8-(Diphenylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 15541261
8-Cyclodecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9842289
8-Cyclononyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9885004
8-(4-Isopropyl-cyclohexyl)-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9885005
8-Indan-1-yl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 9997843
8-Cyclododecyl-1-phenyl-1,3,8-triaza-spiro[4.5]decan-4-one
CID 10000890
8-[3-(4-fluoro-N-(4-fluorophenyl)anilino)propyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 12763863

Frequently Asked Questions

What is the IUPAC name of 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 19347356) is 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C1CCCCCCCCCC1)CC2.
What is the InChIKey of 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is WYXUUABTWQUFBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O/c28-23-24(27(20-25-23)22-14-10-7-11-15-22)16-18-26(19-17-24)21-12-8-5-3-1-2-4-6-9-13-21/h7,10-11,14-15,21H,1-6,8-9,12-13,16-20H2,(H,25,28).
What are the key properties of 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 383.58 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cycloundecyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 19347356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).