3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol

C19H23N3O2 — CID 129298894

IUPAC3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CNC2O
InChIInChI=1S/C19H23N3O2/c1-13-11-16-17(12-20-19(16)23)21-18(13)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,11,15,19-20,23H,7-10,12H2,1H3
InChIKeyZKPSEZRJDWESSA-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.53
Rot. Bonds3

About 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol

3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol (PubChem CID 129298894) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol.

Molecular Properties

Compound Name3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol
PubChem CID129298894
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol
SMILESCc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CNC2O
InChIInChI=1S/C19H23N3O2/c1-13-11-16-17(12-20-19(16)23)21-18(13)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,11,15,19-20,23H,7-10,12H2,1H3
InChIKeyZKPSEZRJDWESSA-UHFFFAOYSA-N
XLogP2.53
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol with MolForge

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Related Compounds

5-[1-(5-hydroxy-3-methyl-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxy-1,3-dihydroinden-2-one
CID 129298917
methyl 3-methyl-2-(4-phenoxypiperidin-1-yl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 135154630
2-[4-(4-fluorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278072
7-(hydroxymethyl)-3,6-dimethyl-2-(4-phenoxypiperidin-1-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 129277923
2-[4-(4-chlorophenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277713
2-[4-(3-chloro-4-methylphenoxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277559
3-methyl-2-(4-quinolin-7-yloxypiperidin-1-yl)-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277839
2-[4-(2,3-dihydro-1H-inden-5-yloxy)piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277802
3-methyl-2-[4-(1-methylpyrazol-4-yl)oxypiperidin-1-yl]-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129278259
2-[4-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)oxy]piperidin-1-yl]-3-methyl-6,7-dihydropyrrolo[3,4-b]pyridin-5-one
CID 129277820
5-[1-(3-methyl-5-oxo-6,7-dihydropyrrolo[3,4-b]pyridin-2-yl)piperidin-4-yl]oxypyridine-2-carbonitrile
CID 129277731
4,5,6-trimethyl-2-[(3R)-3-phenoxypyrrolidin-1-yl]pyrimidine
CID 163306506

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol?
The IUPAC name of 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol (CID 129298894) is 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol.
What is the SMILES notation for 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol?
The canonical SMILES for 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol is Cc1cc2c(nc1N1CCC(Oc3ccccc3)CC1)CNC2O.
What is the InChIKey of 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol?
The InChIKey is ZKPSEZRJDWESSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-13-11-16-17(12-20-19(16)23)21-18(13)22-9-7-15(8-10-22)24-14-5-3-2-4-6-14/h2-6,11,15,19-20,23H,7-10,12H2,1H3.
What are the key properties of 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol?
3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol has a molecular weight of 325.41 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-(4-phenoxypiperidin-1-yl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridin-5-ol is sourced from PubChem (CID 129298894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).