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

C30H33N3O — CID 25190575

IUPAC8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C30H33N3O/c34-29-30(33(27-14-8-3-9-15-27)23-32(29)22-24-16-17-24)18-20-31(21-19-30)28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2
InChIKeyDFUWOFTVSMOGGO-UHFFFAOYSA-N
MW451.61 g/mol
LogP5.33
Rot. Bonds6

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

8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 25190575) has the molecular formula C30H33N3O and a molecular weight of 451.61 g/mol. Its IUPAC name is 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID25190575
Molecular FormulaC30H33N3O
Molecular Weight451.61 g/mol
Exact Mass451.26
IUPAC Name8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2
InChIInChI=1S/C30H33N3O/c34-29-30(33(27-14-8-3-9-15-27)23-32(29)22-24-16-17-24)18-20-31(21-19-30)28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2
InChIKeyDFUWOFTVSMOGGO-UHFFFAOYSA-N
XLogP5.33
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.61
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 8-benzhydryl-3-(cyclopropylmethyl)-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

Frequently Asked Questions

What is the IUPAC name of 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 25190575) is 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1N(CC2CC2)CN(c2ccccc2)C12CCN(C(c1ccccc1)c1ccccc1)CC2.
What is the InChIKey of 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is DFUWOFTVSMOGGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O/c34-29-30(33(27-14-8-3-9-15-27)23-32(29)22-24-16-17-24)18-20-31(21-19-30)28(25-10-4-1-5-11-25)26-12-6-2-7-13-26/h1-15,24,28H,16-23H2.
What are the key properties of 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 451.61 g/mol, XLogP of 5.33, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzhydryl-3-(cyclopropylmethyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 25190575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).