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

C22H27N3O2 — CID 14968319

IUPAC8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCOc1ccccc1)CC2
InChIInChI=1S/C22H27N3O2/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26)
InChIKeyZMPJCXQJCGGYPL-UHFFFAOYSA-N
MW365.48 g/mol
LogP2.88
Rot. Bonds6

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

8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 14968319) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID14968319
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCOc1ccccc1)CC2
InChIInChI=1S/C22H27N3O2/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26)
InChIKeyZMPJCXQJCGGYPL-UHFFFAOYSA-N
XLogP2.88
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 14968319) is 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CCCOc1ccccc1)CC2.
What is the InChIKey of 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is ZMPJCXQJCGGYPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c26-21-22(25(18-23-21)19-8-3-1-4-9-19)12-15-24(16-13-22)14-7-17-27-20-10-5-2-6-11-20/h1-6,8-11H,7,12-18H2,(H,23,26).
What are the key properties of 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 365.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-phenoxypropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 14968319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).