8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

C14H19N3O — CID 23377559

IUPAC8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,18)
InChIKeyBPXNJWOQVQXJQM-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.04
Rot. Bonds1

About 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one

8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (PubChem CID 23377559) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.

Molecular Properties

Compound Name8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
PubChem CID23377559
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
SMILESCN1CCC2(CC1)C(=O)NCN2c1ccccc1
InChIInChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,18)
InChIKeyBPXNJWOQVQXJQM-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The IUPAC name of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one (CID 23377559) is 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one.
What is the SMILES notation for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The canonical SMILES for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is CN1CCC2(CC1)C(=O)NCN2c1ccccc1.
What is the InChIKey of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
The InChIKey is BPXNJWOQVQXJQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-16-9-7-14(8-10-16)13(18)15-11-17(14)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,15,18).
What are the key properties of 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one?
8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one has a molecular weight of 245.33 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one is sourced from PubChem (CID 23377559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).