1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one

C15H20N2O3 — CID 63763060

IUPAC1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20N2O3/c18-13-9-11-4-5-12(10-13)17(11)15(20)6-8-16-7-2-1-3-14(16)19/h1-3,7,11-13,18H,4-6,8-10H2
InChIKeySCDUFZOFTQWEGO-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.75
Rot. Bonds3

About 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one

1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one (PubChem CID 63763060) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one.

Molecular Properties

Compound Name1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one
PubChem CID63763060
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one
SMILESO=C(CCn1ccccc1=O)N1C2CCC1CC(O)C2
InChIInChI=1S/C15H20N2O3/c18-13-9-11-4-5-12(10-13)17(11)15(20)6-8-16-7-2-1-3-14(16)19/h1-3,7,11-13,18H,4-6,8-10H2
InChIKeySCDUFZOFTQWEGO-UHFFFAOYSA-N
XLogP0.75
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one?
The IUPAC name of 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one (CID 63763060) is 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one.
What is the SMILES notation for 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one?
The canonical SMILES for 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one is O=C(CCn1ccccc1=O)N1C2CCC1CC(O)C2.
What is the InChIKey of 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one?
The InChIKey is SCDUFZOFTQWEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c18-13-9-11-4-5-12(10-13)17(11)15(20)6-8-16-7-2-1-3-14(16)19/h1-3,7,11-13,18H,4-6,8-10H2.
What are the key properties of 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one?
1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one has a molecular weight of 276.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-oxopropyl]pyridin-2-one is sourced from PubChem (CID 63763060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).