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

C16H23N3O3 — CID 129277641

IUPAC2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOCCOC1CCN(c2nc3c(cc2C)C(=O)NC3)CC1
InChIInChI=1S/C16H23N3O3/c1-11-9-13-14(10-17-16(13)20)18-15(11)19-5-3-12(4-6-19)22-8-7-21-2/h9,12H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyHLOQGXFVOPUHQB-UHFFFAOYSA-N
MW305.38 g/mol
LogP1.27
Rot. Bonds5

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

2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (PubChem CID 129277641) has the molecular formula C16H23N3O3 and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.

Molecular Properties

Compound Name2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
PubChem CID129277641
Molecular FormulaC16H23N3O3
Molecular Weight305.38 g/mol
Exact Mass305.17
IUPAC Name2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
SMILESCOCCOC1CCN(c2nc3c(cc2C)C(=O)NC3)CC1
InChIInChI=1S/C16H23N3O3/c1-11-9-13-14(10-17-16(13)20)18-15(11)19-5-3-12(4-6-19)22-8-7-21-2/h9,12H,3-8,10H2,1-2H3,(H,17,20)
InChIKeyHLOQGXFVOPUHQB-UHFFFAOYSA-N
XLogP1.27
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The IUPAC name of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one (CID 129277641) is 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one.
What is the SMILES notation for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The canonical SMILES for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is COCCOC1CCN(c2nc3c(cc2C)C(=O)NC3)CC1.
What is the InChIKey of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
The InChIKey is HLOQGXFVOPUHQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3/c1-11-9-13-14(10-17-16(13)20)18-15(11)19-5-3-12(4-6-19)22-8-7-21-2/h9,12H,3-8,10H2,1-2H3,(H,17,20).
What are the key properties of 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one?
2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one has a molecular weight of 305.38 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyethoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one is sourced from PubChem (CID 129277641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).