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

C15H21N3O — CID 97493960

IUPAC1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2C(=O)CCC23CCNCC3)n1
InChIInChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-14(19)5-6-15(18)7-9-16-10-8-15/h2-4,16H,5-11H2,1H3
InChIKeyREAFCNWMSKWEJI-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.63
Rot. Bonds2

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

1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (PubChem CID 97493960) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
PubChem CID97493960
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
SMILESCc1cccc(CN2C(=O)CCC23CCNCC3)n1
InChIInChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-14(19)5-6-15(18)7-9-16-10-8-15/h2-4,16H,5-11H2,1H3
InChIKeyREAFCNWMSKWEJI-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-fluoropropanoyl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one
CID 155880152
1-[(6-methyl-2-pyridinyl)methyl]-8-(pyrrolidine-1-carbonyl)-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118742482
5-methyl-4-[(6-methyl-2-pyridinyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131638072
8-(5-fluoropyrimidin-2-yl)-1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 118744025
1-[(6-methyl-2-pyridinyl)methyl]-8-[(1-methylpyrrol-2-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 118746303
1-[(6-methyl-2-pyridinyl)methyl]piperazin-2-one
CID 79260974
1-[(6-methyl-2-pyridinyl)methyl]piperidin-4-one
CID 62307525
1-[(6-methyl-2-pyridinyl)methyl]imidazolidin-2-one
CID 115370613
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]-1,3-diazinane-2,4-dione
CID 67564699
8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 97449681
3,3-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]piperazine-2,6-dione
CID 79260717
6-[(6-methyl-2-pyridinyl)methyl]-2,6-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155865700

Frequently Asked Questions

What is the IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one (CID 97493960) is 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is Cc1cccc(CN2C(=O)CCC23CCNCC3)n1.
What is the InChIKey of 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
The InChIKey is REAFCNWMSKWEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-12-3-2-4-13(17-12)11-18-14(19)5-6-15(18)7-9-16-10-8-15/h2-4,16H,5-11H2,1H3.
What are the key properties of 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one?
1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-methyl-2-pyridinyl)methyl]-1,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 97493960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).