(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

C17H23N3O2 — CID 98778255

IUPAC(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CC[C@]12CCCN([C@H]1CCOC1)C2
InChIInChI=1S/C17H23N3O2/c21-16-17(6-9-20(16)14-3-1-7-18-11-14)5-2-8-19(13-17)15-4-10-22-12-15/h1,3,7,11,15H,2,4-6,8-10,12-13H2/t15-,17-/m0/s1
InChIKeyFYQYYGIQQSHRHY-RDJZCZTQSA-N
MW301.39 g/mol
LogP1.69
Rot. Bonds2

About (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one

(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 98778255) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID98778255
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C1N(c2cccnc2)CC[C@]12CCCN([C@H]1CCOC1)C2
InChIInChI=1S/C17H23N3O2/c21-16-17(6-9-20(16)14-3-1-7-18-11-14)5-2-8-19(13-17)15-4-10-22-12-15/h1,3,7,11,15H,2,4-6,8-10,12-13H2/t15-,17-/m0/s1
InChIKeyFYQYYGIQQSHRHY-RDJZCZTQSA-N
XLogP1.69
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

(5R)-9-[(3R)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 124521986
9-(oxolan-3-yl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 155841747
(5R)-9-(pyridine-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490320
2-pyridin-3-yl-9-(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075103
(5R)-7-(cyclopent-3-ene-1-carbonyl)-2-pyridin-3-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451472
1-[(5R)-2-[(3S)-oxolan-3-yl]-2,7-diazaspiro[4.5]decan-7-yl]-2-pyridin-3-ylethanone
CID 98776791
9-(5-methyl-1,2-oxazole-4-carbonyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 134075107
9-[(1-methylpyrazol-4-yl)methyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 118741017
2-pyridin-3-yl-9-[3-(1H-pyrrol-2-yl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131688959
9-[2-(1-methoxycyclobutyl)acetyl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131688887
4-(oxan-4-yl)-8-pyridin-3-yl-1-oxa-4,8-diazaspiro[5.5]undecane
CID 134074048
[2-(oxolan-3-yl)-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 155832394

Frequently Asked Questions

What is the IUPAC name of (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one (CID 98778255) is (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is O=C1N(c2cccnc2)CC[C@]12CCCN([C@H]1CCOC1)C2.
What is the InChIKey of (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is FYQYYGIQQSHRHY-RDJZCZTQSA-N. The full InChI is InChI=1S/C17H23N3O2/c21-16-17(6-9-20(16)14-3-1-7-18-11-14)5-2-8-19(13-17)15-4-10-22-12-15/h1,3,7,11,15H,2,4-6,8-10,12-13H2/t15-,17-/m0/s1.
What are the key properties of (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 301.39 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-[(3S)-oxolan-3-yl]-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 98778255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).