8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

C15H21N3O — CID 97449681

IUPAC8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCNC3=O)CC2)n1
InChIInChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-9-6-15(7-10-18)5-8-16-14(15)19/h2-4H,5-11H2,1H3,(H,16,19)
InChIKeyYORUOFSPUJHAAN-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.49
Rot. Bonds2

About 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one

8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 97449681) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
PubChem CID97449681
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
SMILESCc1cccc(CN2CCC3(CCNC3=O)CC2)n1
InChIInChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-9-6-15(7-10-18)5-8-16-14(15)19/h2-4H,5-11H2,1H3,(H,16,19)
InChIKeyYORUOFSPUJHAAN-UHFFFAOYSA-N
XLogP1.49
TPSA45.23 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 ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613
2-(3-fluorophenyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[3.5]nonan-3-one
CID 97473007
(4S)-4-(methoxymethyl)-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 97476427
(5S)-7-[(6-methyl-2-pyridinyl)methyl]-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451451
4-ethyl-1-methyl-9-[(6-methyl-2-pyridinyl)methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 97398686
8-[(6-methyl-2-pyridinyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449503
(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decan-1-one
CID 97490526
9-[(2-methylpyrazol-3-yl)methyl]-2-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 98896743
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-3-carboxylic acid
CID 79261129
7-(2-methoxyethyl)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 45190498
(7S)-7-benzyl-1'-[(6-methyl-2-pyridinyl)methyl]spiro[1,5,8,13,14-pentazabicyclo[10.2.1]pentadeca-12(15),13-diene-10,4'-piperidine]-6,9-dione
CID 131917838

Frequently Asked Questions

What is the IUPAC name of 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one (CID 97449681) is 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is Cc1cccc(CN2CCC3(CCNC3=O)CC2)n1.
What is the InChIKey of 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is YORUOFSPUJHAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-9-6-15(7-10-18)5-8-16-14(15)19/h2-4H,5-11H2,1H3,(H,16,19).
What are the key properties of 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one?
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 259.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97449681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).