1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one

C21H25N3O — CID 4092325

IUPAC1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-9-5-2-6-10-19)12-15-23(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
InChIKeyVBFCKBBGHPJVIS-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.66
Rot. Bonds4

About 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one

1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 4092325) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID4092325
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCc1ccccc1)CC2
InChIInChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-9-5-2-6-10-19)12-15-23(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25)
InChIKeyVBFCKBBGHPJVIS-UHFFFAOYSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 4092325) is 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CCc1ccccc1)CC2.
What is the InChIKey of 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is VBFCKBBGHPJVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c25-20-21(24(17-22-20)19-9-5-2-6-10-19)12-15-23(16-13-21)14-11-18-7-3-1-4-8-18/h1-10H,11-17H2,(H,22,25).
What are the key properties of 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 335.45 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 4092325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).