1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

C15H21N3O — CID 134078825

IUPAC1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C15H21N3O/c1-17-14(19)6-8-15(17)7-4-10-18(12-15)11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3
InChIKeyAWRYJHBZLIZZJQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP1.67
Rot. Bonds2

About 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one

1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (PubChem CID 134078825) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
PubChem CID134078825
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one
SMILESCN1C(=O)CCC12CCCN(Cc1ccccn1)C2
InChIInChI=1S/C15H21N3O/c1-17-14(19)6-8-15(17)7-4-10-18(12-15)11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3
InChIKeyAWRYJHBZLIZZJQ-UHFFFAOYSA-N
XLogP1.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(pyridin-2-ylmethyl)piperidin-3-ol
CID 115873664
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
8-(2-hydroxyethyl)-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70710466
(6R)-8-[2-(2-oxopyrrolidin-1-yl)ethyl]-2-(pyridin-2-ylmethyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866718
2-(2-methoxyethyl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131656169
8-(pyridin-2-ylmethyl)-1-(2-pyrrolidin-1-ylethyl)-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 155854522
(6S)-1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373220
(5S)-2-(1-methylpyrazol-4-yl)-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97395772
(5S)-6-acetyl-9-phenyl-2-(pyridin-2-ylmethyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 97496089
(6R)-1-methyl-8-[(5-methylfuran-2-yl)methyl]-1,8-diazaspiro[5.5]undecan-2-one
CID 97373223
(5R)-2-[(1-methylimidazol-2-yl)methyl]-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 97450006
3-(pyridin-2-ylmethyl)-9-(2-pyrrolidin-1-ylethyl)-3,9-diazaspiro[5.5]undecane
CID 97450332

Frequently Asked Questions

What is the IUPAC name of 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one (CID 134078825) is 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is CN1C(=O)CCC12CCCN(Cc1ccccn1)C2.
What is the InChIKey of 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
The InChIKey is AWRYJHBZLIZZJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-17-14(19)6-8-15(17)7-4-10-18(12-15)11-13-5-2-3-9-16-13/h2-3,5,9H,4,6-8,10-12H2,1H3.
What are the key properties of 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one?
1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one has a molecular weight of 259.35 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-9-(pyridin-2-ylmethyl)-1,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 134078825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).