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

C26H27N3O — CID 15541261

IUPAC8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30)
InChIKeyMLVHNSLPGKIYBU-UHFFFAOYSA-N
MW397.52 g/mol
LogP4.20
Rot. Bonds4

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

8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 15541261) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID15541261
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30)
InChIKeyMLVHNSLPGKIYBU-UHFFFAOYSA-N
XLogP4.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.52
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 15541261) is 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is MLVHNSLPGKIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c30-25-26(29(20-27-25)23-14-8-3-9-15-23)16-18-28(19-17-26)24(21-10-4-1-5-11-21)22-12-6-2-7-13-22/h1-15,24H,16-20H2,(H,27,30).
What are the key properties of 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 397.52 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 15541261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).