9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C15H19N3O4 — CID 56896758

IUPAC9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)CCn3ccccc3=O)C2)O1
InChIInChI=1S/C15H19N3O4/c19-12-4-1-2-7-17(12)9-5-13(20)18-8-3-6-15(11-18)10-16-14(21)22-15/h1-2,4,7H,3,5-6,8-11H2,(H,16,21)
InChIKeyZDDGJZUBDRCFKY-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.34
Rot. Bonds3

About 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one

9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 56896758) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID56896758
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESO=C1NCC2(CCCN(C(=O)CCn3ccccc3=O)C2)O1
InChIInChI=1S/C15H19N3O4/c19-12-4-1-2-7-17(12)9-5-13(20)18-8-3-6-15(11-18)10-16-14(21)22-15/h1-2,4,7H,3,5-6,8-11H2,(H,16,21)
InChIKeyZDDGJZUBDRCFKY-UHFFFAOYSA-N
XLogP0.34
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(3-hydroxy-3-methylpyrrolidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 103726896
(5S)-9-[3-(6-oxo-1H-pyridazin-3-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95725555
4-[3-(2-oxo-1-pyridinyl)propanoyl]-1,4-diazepan-2-one
CID 62898319
(5S)-9-[3-(3-methylimidazo[4,5-b]pyridin-2-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95724622
2-[2-oxo-8-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]acetic acid
CID 167849089
(5R)-9-[2-(3,4-dichlorophenyl)acetyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95713114
(5R)-9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95720663
9-[3-(2-amino-1,3-thiazol-4-yl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56906703
9-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56883107
(5S)-9-[3-(1,3-dihydroisoindol-2-yl)propanoyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95719735
(5R)-7-(cyclopropylmethyl)-2-[3-(2-oxo-1-pyridinyl)propanoyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97131680
1-[3-(3-benzoylpiperidin-1-yl)-3-oxopropyl]pyridin-2-one
CID 70747255

Frequently Asked Questions

What is the IUPAC name of 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 56896758) is 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is O=C1NCC2(CCCN(C(=O)CCn3ccccc3=O)C2)O1.
What is the InChIKey of 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is ZDDGJZUBDRCFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c19-12-4-1-2-7-17(12)9-5-13(20)18-8-3-6-15(11-18)10-16-14(21)22-15/h1-2,4,7H,3,5-6,8-11H2,(H,16,21).
What are the key properties of 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 305.33 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[3-(2-oxo-1-pyridinyl)propanoyl]-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56896758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).