8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one

C16H22N2O — CID 91595061

IUPAC8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
SMILESCN1CC(Cc2ccccc2)NC(=O)C12CCCC2
InChIInChI=1S/C16H22N2O/c1-18-12-14(11-13-7-3-2-4-8-13)17-15(19)16(18)9-5-6-10-16/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyPJSXBDLHDOZHDJ-UHFFFAOYSA-N
MW258.37 g/mol
LogP1.97
Rot. Bonds2

About 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one

8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one (PubChem CID 91595061) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
PubChem CID91595061
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one
SMILESCN1CC(Cc2ccccc2)NC(=O)C12CCCC2
InChIInChI=1S/C16H22N2O/c1-18-12-14(11-13-7-3-2-4-8-13)17-15(19)16(18)9-5-6-10-16/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19)
InChIKeyPJSXBDLHDOZHDJ-UHFFFAOYSA-N
XLogP1.97
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one (CID 91595061) is 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one is CN1CC(Cc2ccccc2)NC(=O)C12CCCC2.
What is the InChIKey of 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one?
The InChIKey is PJSXBDLHDOZHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-18-12-14(11-13-7-3-2-4-8-13)17-15(19)16(18)9-5-6-10-16/h2-4,7-8,14H,5-6,9-12H2,1H3,(H,17,19).
What are the key properties of 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one?
8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one has a molecular weight of 258.37 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-benzyl-6-methyl-6,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 91595061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).