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

C28H35N7O — CID 51360083

IUPAC8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1C1CCCC1)CC2
InChIInChI=1S/C28H35N7O/c36-27-28(34(21-29-27)23-11-5-2-6-12-23)17-19-33(20-18-28)25(16-15-22-9-3-1-4-10-22)26-30-31-32-35(26)24-13-7-8-14-24/h1-6,9-12,24-25H,7-8,13-21H2,(H,29,36)
InChIKeyIWUKKKRFVRHODF-UHFFFAOYSA-N
MW485.64 g/mol
LogP3.89
Rot. Bonds7

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

8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 51360083) has the molecular formula C28H35N7O and a molecular weight of 485.64 g/mol. Its IUPAC name is 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID51360083
Molecular FormulaC28H35N7O
Molecular Weight485.64 g/mol
Exact Mass485.29
IUPAC Name8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1C1CCCC1)CC2
InChIInChI=1S/C28H35N7O/c36-27-28(34(21-29-27)23-11-5-2-6-12-23)17-19-33(20-18-28)25(16-15-22-9-3-1-4-10-22)26-30-31-32-35(26)24-13-7-8-14-24/h1-6,9-12,24-25H,7-8,13-21H2,(H,29,36)
InChIKeyIWUKKKRFVRHODF-UHFFFAOYSA-N
XLogP3.89
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.64
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 51360083) is 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(C(CCc1ccccc1)c1nnnn1C1CCCC1)CC2.
What is the InChIKey of 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is IWUKKKRFVRHODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35N7O/c36-27-28(34(21-29-27)23-11-5-2-6-12-23)17-19-33(20-18-28)25(16-15-22-9-3-1-4-10-22)26-30-31-32-35(26)24-13-7-8-14-24/h1-6,9-12,24-25H,7-8,13-21H2,(H,29,36).
What are the key properties of 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 485.64 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-(1-cyclopentyltetrazol-5-yl)-3-phenylpropyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 51360083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).