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

C22H27N3O — CID 10497999

IUPAC1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C22H27N3O/c26-21-22(25(18-23-21)20-11-5-2-6-12-20)13-16-24(17-14-22)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,26)
InChIKeyDWZMSKKFIPPHML-UHFFFAOYSA-N
MW349.48 g/mol
LogP3.05
Rot. Bonds5

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

1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 10497999) has the molecular formula C22H27N3O and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID10497999
Molecular FormulaC22H27N3O
Molecular Weight349.48 g/mol
Exact Mass349.22
IUPAC Name1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one
SMILESO=C1NCN(c2ccccc2)C12CCN(CCCc1ccccc1)CC2
InChIInChI=1S/C22H27N3O/c26-21-22(25(18-23-21)20-11-5-2-6-12-20)13-16-24(17-14-22)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,26)
InChIKeyDWZMSKKFIPPHML-UHFFFAOYSA-N
XLogP3.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one (CID 10497999) is 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one is O=C1NCN(c2ccccc2)C12CCN(CCCc1ccccc1)CC2.
What is the InChIKey of 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is DWZMSKKFIPPHML-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O/c26-21-22(25(18-23-21)20-11-5-2-6-12-20)13-16-24(17-14-22)15-7-10-19-8-3-1-4-9-19/h1-6,8-9,11-12H,7,10,13-18H2,(H,23,26).
What are the key properties of 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one?
1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 349.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-8-(3-phenylpropyl)-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 10497999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).