8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C31H35N7O — CID 51360788

IUPAC8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc(C)c1-n1nnnc1C(CCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C31H35N7O/c1-23-10-9-11-24(2)28(23)38-29(33-34-35-38)27(17-16-25-12-5-3-6-13-25)36-20-18-31(19-21-36)30(39)32-22-37(31)26-14-7-4-8-15-26/h3-15,27H,16-22H2,1-2H3,(H,32,39)
InChIKeyBAYGPJHDEHGBJV-UHFFFAOYSA-N
MW521.67 g/mol
LogP4.38
Rot. Bonds7

About 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360788) has the molecular formula C31H35N7O and a molecular weight of 521.67 g/mol. Its IUPAC name is 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360788
Molecular FormulaC31H35N7O
Molecular Weight521.67 g/mol
Exact Mass521.29
IUPAC Name8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCc1cccc(C)c1-n1nnnc1C(CCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C31H35N7O/c1-23-10-9-11-24(2)28(23)38-29(33-34-35-38)27(17-16-25-12-5-3-6-13-25)36-20-18-31(19-21-36)30(39)32-22-37(31)26-14-7-4-8-15-26/h3-15,27H,16-22H2,1-2H3,(H,32,39)
InChIKeyBAYGPJHDEHGBJV-UHFFFAOYSA-N
XLogP4.38
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500521.67
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-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-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360788) is 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is Cc1cccc(C)c1-n1nnnc1C(CCc1ccccc1)N1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is BAYGPJHDEHGBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O/c1-23-10-9-11-24(2)28(23)38-29(33-34-35-38)27(17-16-25-12-5-3-6-13-25)36-20-18-31(19-21-36)30(39)32-22-37(31)26-14-7-4-8-15-26/h3-15,27H,16-22H2,1-2H3,(H,32,39).
What are the key properties of 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 521.67 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[1-(2,6-dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).