(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

C13H17N3O — CID 101385535

IUPAC(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC[C@@H](c2cccnc2)C12CCNCC2
InChIInChI=1S/C13H17N3O/c17-12-13(3-6-14-7-4-13)11(9-16-12)10-2-1-5-15-8-10/h1-2,5,8,11,14H,3-4,6-7,9H2,(H,16,17)/t11-/m0/s1
InChIKeyOHDURCLZDBSQJR-NSHDSACASA-N
MW231.30 g/mol
LogP0.66
Rot. Bonds1

About (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one

(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 101385535) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID101385535
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one
SMILESO=C1NC[C@@H](c2cccnc2)C12CCNCC2
InChIInChI=1S/C13H17N3O/c17-12-13(3-6-14-7-4-13)11(9-16-12)10-2-1-5-15-8-10/h1-2,5,8,11,14H,3-4,6-7,9H2,(H,16,17)/t11-/m0/s1
InChIKeyOHDURCLZDBSQJR-NSHDSACASA-N
XLogP0.66
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyrrolidin-3-ylpyridine
CID 3613651
3-piperidin-4-ylpyridine;dihydrochloride
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3-[(2S)-aziridin-2-yl]pyridine
CID 55263397
4-pyridin-3-ylazepane
CID 83262248
2-pyridin-3-ylpiperazine
CID 3872289
9-pyridin-3-yl-4-azabicyclo[5.3.1]undecane
CID 57485548
(2-pyridin-3-ylpiperazin-1-yl)-spiro[2.4]heptan-2-ylmethanone
CID 120730942
(8R)-8-(3-methoxyphenyl)-6-azaspiro[3.4]octan-5-one
CID 125450834
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
(8R)-8-(4-bromophenyl)-6-azaspiro[3.4]octan-5-one
CID 125450111
6-pyridin-3-yl-3-azabicyclo[4.1.0]heptane
CID 146155860
(4R)-4-phenyl-8-(pyridazine-4-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 97452785

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one (CID 101385535) is (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is O=C1NC[C@@H](c2cccnc2)C12CCNCC2.
What is the InChIKey of (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is OHDURCLZDBSQJR-NSHDSACASA-N. The full InChI is InChI=1S/C13H17N3O/c17-12-13(3-6-14-7-4-13)11(9-16-12)10-2-1-5-15-8-10/h1-2,5,8,11,14H,3-4,6-7,9H2,(H,16,17)/t11-/m0/s1.
What are the key properties of (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one?
(4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 231.30 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-3-yl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 101385535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).