8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C30H33N7O — CID 51360808

IUPAC8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2
InChIInChI=1S/C30H33N7O/c38-29-30(36(23-31-29)26-14-8-3-9-15-26)18-20-35(21-19-30)27(17-16-24-10-4-1-5-11-24)28-32-33-34-37(28)22-25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,38)
InChIKeyPYOYYTAZFXXAGI-UHFFFAOYSA-N
MW507.64 g/mol
LogP3.82
Rot. Bonds8

About 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360808) has the molecular formula C30H33N7O and a molecular weight of 507.64 g/mol. Its IUPAC name is 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360808
Molecular FormulaC30H33N7O
Molecular Weight507.64 g/mol
Exact Mass507.27
IUPAC Name8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2
InChIInChI=1S/C30H33N7O/c38-29-30(36(23-31-29)26-14-8-3-9-15-26)18-20-35(21-19-30)27(17-16-24-10-4-1-5-11-24)28-32-33-34-37(28)22-25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,38)
InChIKeyPYOYYTAZFXXAGI-UHFFFAOYSA-N
XLogP3.82
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.64
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one with MolForge

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Related Compounds

1-(4-((1-benzyl-1H-tetrazol-5-yl)(4-cyclobutyl-1,4-diazepan-1-yl)methyl)phenyl)pyrrolidin-2-one
CID 44159883
3-[1-[(1-benzyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360353
1-Phenyl-8-(1-phenyl-1H-tetrazol-5-yl)-1,3,8-triaza-spiro[4.5]decan-4-one
CID 648582
8-(1-(1-cyclopentyl-1H-tetrazol-5-yl)-3-phenylpropyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360083
3-[1-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360344
3-[1-[1-(1-cyclohexyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360356
3-[1-[(1-cyclohexyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360364
3-[1-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360367
3-[1-[1-(1-butyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360379
3-[1-[(1-butyltetrazol-5-yl)-phenylmethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360388
3-[1-[1-(1-tert-butyltetrazol-5-yl)-3-phenylpropyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 51360390
8-[1-[1-(2,6-Dimethylphenyl)tetrazol-5-yl]-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 51360788

Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360808) is 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1Cc1ccccc1)CC2.
What is the InChIKey of 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is PYOYYTAZFXXAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O/c38-29-30(36(23-31-29)26-14-8-3-9-15-26)18-20-35(21-19-30)27(17-16-24-10-4-1-5-11-24)28-32-33-34-37(28)22-25-12-6-2-7-13-25/h1-15,27H,16-23H2,(H,31,38).
What are the key properties of 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 507.64 g/mol, XLogP of 3.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-benzyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).