2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

C14H19N3O — CID 117003122

IUPAC2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCNCC2
InChIInChI=1S/C14H19N3O/c18-13-14(3-7-15-8-4-14)5-9-17(13)11-12-2-1-6-16-10-12/h1-2,6,10,15H,3-5,7-9,11H2
InChIKeyOLBUUJNDYOEPRX-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.18
Rot. Bonds2

About 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one

2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 117003122) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
PubChem CID117003122
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1N(Cc2cccnc2)CCC12CCNCC2
InChIInChI=1S/C14H19N3O/c18-13-14(3-7-15-8-4-14)5-9-17(13)11-12-2-1-6-16-10-12/h1-2,6,10,15H,3-5,7-9,11H2
InChIKeyOLBUUJNDYOEPRX-UHFFFAOYSA-N
XLogP1.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one
CID 91578541
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98897491
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131661433
(5S)-9-methylsulfonyl-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490119
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
9-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecan-1-one
CID 98897204
8-[(1-methylimidazol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155827999
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
2-[(4-methoxyphenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074122
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophen-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490108
7-(cyclobutylmethyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472901

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one (CID 117003122) is 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is O=C1N(Cc2cccnc2)CCC12CCNCC2.
What is the InChIKey of 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OLBUUJNDYOEPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c18-13-14(3-7-15-8-4-14)5-9-17(13)11-12-2-1-6-16-10-12/h1-2,6,10,15H,3-5,7-9,11H2.
What are the key properties of 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one?
2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 245.33 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 117003122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).