5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine

C14H19N3O — CID 82384884

IUPAC5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(cc(C3CCCNC3)n2C)n1
InChIInChI=1S/C14H19N3O/c1-17-12-5-6-14(18-2)16-11(12)8-13(17)10-4-3-7-15-9-10/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyQLYIJJPDHDCVSE-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.05
Rot. Bonds2

About 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine

5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine (PubChem CID 82384884) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine
PubChem CID82384884
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(cc(C3CCCNC3)n2C)n1
InChIInChI=1S/C14H19N3O/c1-17-12-5-6-14(18-2)16-11(12)8-13(17)10-4-3-7-15-9-10/h5-6,8,10,15H,3-4,7,9H2,1-2H3
InChIKeyQLYIJJPDHDCVSE-UHFFFAOYSA-N
XLogP2.05
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[(3S)-piperidin-3-yl]indole
CID 124505211
3-[3-(3,5-dimethoxyphenyl)imidazol-4-yl]piperidine
CID 114702909
2-methoxy-5-[(3R)-piperidin-3-yl]pyridine
CID 93478601
2-methoxy-6-methyl-4-piperidin-3-ylpyridine
CID 146284880
5-methoxy-2-piperidin-3-yl-1H-imidazo[4,5-b]pyridine
CID 65483260
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
3-(4-methoxyphenyl)piperidine
CID 12937920
1-ethyl-5-methyl-2-piperidin-3-ylbenzimidazole
CID 54920145
2-methyl-3-piperidin-3-yl-1,2-oxazol-5-one
CID 84658480
3-[3-[2-(3-methoxyphenyl)ethyl]imidazol-4-yl]piperidine
CID 107854548
2-methoxy-6-[(3R)-piperidin-3-yl]oxypyridine
CID 96644678

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine?
The IUPAC name of 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine (CID 82384884) is 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine.
What is the SMILES notation for 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine?
The canonical SMILES for 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine is COc1ccc2c(cc(C3CCCNC3)n2C)n1.
What is the InChIKey of 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine?
The InChIKey is QLYIJJPDHDCVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-12-5-6-14(18-2)16-11(12)8-13(17)10-4-3-7-15-9-10/h5-6,8,10,15H,3-4,7,9H2,1-2H3.
What are the key properties of 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine?
5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine has a molecular weight of 245.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine is sourced from PubChem (CID 82384884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).