3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one

C16H22N2O4 — CID 72904852

IUPAC3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2C[C@H]3CC[C@@H](C2)C3OC)c1=O
InChIInChI=1S/C16H22N2O4/c1-21-13-4-3-7-17(16(13)20)10-14(19)18-8-11-5-6-12(9-18)15(11)22-2/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3/t11-,12+,15?
InChIKeyGSFCUSAWVVJBLR-ODOQXGPZSA-N
MW306.36 g/mol
LogP0.74
Rot. Bonds4

About 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one

3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one (PubChem CID 72904852) has the molecular formula C16H22N2O4 and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one.

Molecular Properties

Compound Name3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
PubChem CID72904852
Molecular FormulaC16H22N2O4
Molecular Weight306.36 g/mol
Exact Mass306.16
IUPAC Name3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one
SMILESCOc1cccn(CC(=O)N2C[C@H]3CC[C@@H](C2)C3OC)c1=O
InChIInChI=1S/C16H22N2O4/c1-21-13-4-3-7-17(16(13)20)10-14(19)18-8-11-5-6-12(9-18)15(11)22-2/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3/t11-,12+,15?
InChIKeyGSFCUSAWVVJBLR-ODOQXGPZSA-N
XLogP0.74
TPSA60.77 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one?
The IUPAC name of 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one (CID 72904852) is 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one.
What is the SMILES notation for 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one?
The canonical SMILES for 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one is COc1cccn(CC(=O)N2C[C@H]3CC[C@@H](C2)C3OC)c1=O.
What is the InChIKey of 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one?
The InChIKey is GSFCUSAWVVJBLR-ODOQXGPZSA-N. The full InChI is InChI=1S/C16H22N2O4/c1-21-13-4-3-7-17(16(13)20)10-14(19)18-8-11-5-6-12(9-18)15(11)22-2/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3/t11-,12+,15?.
What are the key properties of 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one?
3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one has a molecular weight of 306.36 g/mol, XLogP of 0.74, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-[(1R,5S)-8-methoxy-3-azabicyclo[3.2.1]octan-3-yl]-2-oxoethyl]pyridin-2-one is sourced from PubChem (CID 72904852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).