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

C15H21N3O — CID 46195331

IUPAC4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NCC(=O)N2Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKeyBSQPTZYKCAULBH-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.04
Rot. Bonds2

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

4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one (PubChem CID 46195331) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
PubChem CID46195331
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one
SMILESCN1CCC2(CC1)NCC(=O)N2Cc1ccccc1
InChIInChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3
InChIKeyBSQPTZYKCAULBH-UHFFFAOYSA-N
XLogP1.04
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one (CID 46195331) is 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one is CN1CCC2(CC1)NCC(=O)N2Cc1ccccc1.
What is the InChIKey of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
The InChIKey is BSQPTZYKCAULBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-9-7-15(8-10-17)16-11-14(19)18(15)12-13-5-3-2-4-6-13/h2-6,16H,7-12H2,1H3.
What are the key properties of 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one?
4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one has a molecular weight of 259.35 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-8-methyl-1,4,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 46195331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).