3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

C17H23N3O3 — CID 129277592

IUPAC3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(OC3CCOC3)CC1)CNC2=O
InChIInChI=1S/C17H23N3O3/c1-11-8-14-15(9-18-17(14)21)19-16(11)20-5-2-12(3-6-20)23-13-4-7-22-10-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,21)
InChIKeyJOMSOBNGGMWYLO-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.41
Rot. Bonds3

About 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one

3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277592) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277592
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCc1cc2c(nc1N1CCC(OC3CCOC3)CC1)CNC2=O
InChIInChI=1S/C17H23N3O3/c1-11-8-14-15(9-18-17(14)21)19-16(11)20-5-2-12(3-6-20)23-13-4-7-22-10-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,21)
InChIKeyJOMSOBNGGMWYLO-UHFFFAOYSA-N
XLogP1.41
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277592) is 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is Cc1cc2c(nc1N1CCC(OC3CCOC3)CC1)CNC2=O.
What is the InChIKey of 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is JOMSOBNGGMWYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-11-8-14-15(9-18-17(14)21)19-16(11)20-5-2-12(3-6-20)23-13-4-7-22-10-13/h8,12-13H,2-7,9-10H2,1H3,(H,18,21).
What are the key properties of 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 317.39 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[4-(oxolan-3-yloxy)piperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).