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

C17H23N3O3 — CID 97371896

IUPAC(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C17H23N3O3/c1-23-12-15(21)20-8-3-5-17(13-20)6-9-19(16(17)22)11-14-4-2-7-18-10-14/h2,4,7,10H,3,5-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyJXKYCHVXSDIQGS-KRWDZBQOSA-N
MW317.39 g/mol
LogP1.07
Rot. Bonds4

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

(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 97371896) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
PubChem CID97371896
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
SMILESCOCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1
InChIInChI=1S/C17H23N3O3/c1-23-12-15(21)20-8-3-5-17(13-20)6-9-19(16(17)22)11-14-4-2-7-18-10-14/h2,4,7,10H,3,5-6,8-9,11-13H2,1H3/t17-/m0/s1
InChIKeyJXKYCHVXSDIQGS-KRWDZBQOSA-N
XLogP1.07
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490097
9-(2-methylpyrazole-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131645726
(5S)-2-(pyridin-3-ylmethyl)-9-(thiophene-3-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97490135
2-(furan-2-carbonyl)-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 45233209
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
(5S)-2-(2-methoxyethyl)-9-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97489875
(5S)-2-(pyridin-3-ylmethyl)-9-pyrimidin-2-yl-2,9-diazaspiro[4.5]decan-1-one
CID 97490113
(5R)-2-[(E)-2-methylbut-2-enyl]-7-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26396599
(5S)-9-(furan-3-carbonyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.6]undecan-1-one
CID 98896931
9-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131657343
7-(3,3-dimethylbutanoyl)-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.5]nonan-3-one
CID 97472911

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one (CID 97371896) is (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is COCC(=O)N1CCC[C@]2(CCN(Cc3cccnc3)C2=O)C1.
What is the InChIKey of (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is JXKYCHVXSDIQGS-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-23-12-15(21)20-8-3-5-17(13-20)6-9-19(16(17)22)11-14-4-2-7-18-10-14/h2,4,7,10H,3,5-6,8-9,11-13H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one?
(5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 317.39 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(2-methoxyacetyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 97371896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).