(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C13H17N3O2 — CID 141312567

IUPAC(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@]2(CCCNCC2)CN1c1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12-16(11-3-1-6-15-9-11)10-13(18-12)4-2-7-14-8-5-13/h1,3,6,9,14H,2,4-5,7-8,10H2/t13-/m0/s1
InChIKeyVXIXVZVQZHRGGW-ZDUSSCGKSA-N
MW247.30 g/mol
LogP1.55
Rot. Bonds1

About (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 141312567) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID141312567
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESO=C1O[C@]2(CCCNCC2)CN1c1cccnc1
InChIInChI=1S/C13H17N3O2/c17-12-16(11-3-1-6-15-9-11)10-13(18-12)4-2-7-14-8-5-13/h1,3,6,9,14H,2,4-5,7-8,10H2/t13-/m0/s1
InChIKeyVXIXVZVQZHRGGW-ZDUSSCGKSA-N
XLogP1.55
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 141312603
3-[3-(trifluoromethyl)phenyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067350
3-(3-fluorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 56773862
3-(4-methylphenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66764577
3-benzyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 77058995
3-[(4-chlorophenyl)methyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 115067366
3-(2,4-dichlorophenyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66545182
3-(4-aminophenyl)-1-oxa-3-azaspiro[4.4]nonan-2-one
CID 105490903
3-cyclopropyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84781302
3-cyclobutyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 84789780
3-(2-fluoro-3-pyridinyl)-1-oxa-3-azaspiro[4.5]decan-2-one
CID 68761038
7-cyclopentyl-N,N-dimethyl-2-[[5-(2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-3-yl)-2-pyridinyl]amino]pyrrolo[2,3-d]pyrimidine-6-carboxamide
CID 53377719

Frequently Asked Questions

What is the IUPAC name of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 141312567) is (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is O=C1O[C@]2(CCCNCC2)CN1c1cccnc1.
What is the InChIKey of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is VXIXVZVQZHRGGW-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O2/c17-12-16(11-3-1-6-15-9-11)10-13(18-12)4-2-7-14-8-5-13/h1,3,6,9,14H,2,4-5,7-8,10H2/t13-/m0/s1.
What are the key properties of (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
(5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 247.30 g/mol, XLogP of 1.55, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-pyridin-3-yl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 141312567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).