5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

C17H23N3O3 — CID 18754129

IUPAC5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCC1CCCN(CCCOc2ccc3[nH]cc(C(=O)O)c3n2)C1
InChIInChI=1S/C17H23N3O3/c1-12-4-2-7-20(11-12)8-3-9-23-15-6-5-14-16(19-15)13(10-18-14)17(21)22/h5-6,10,12,18H,2-4,7-9,11H2,1H3,(H,21,22)
InChIKeyAXUJXNCBXGMGHT-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.76
Rot. Bonds6

About 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid

5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (PubChem CID 18754129) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
PubChem CID18754129
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
SMILESCC1CCCN(CCCOc2ccc3[nH]cc(C(=O)O)c3n2)C1
InChIInChI=1S/C17H23N3O3/c1-12-4-2-7-20(11-12)8-3-9-23-15-6-5-14-16(19-15)13(10-18-14)17(21)22/h5-6,10,12,18H,2-4,7-9,11H2,1H3,(H,21,22)
InChIKeyAXUJXNCBXGMGHT-UHFFFAOYSA-N
XLogP2.76
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[3-(3-methylpiperidin-1-yl)propoxy]-N-(1-methylpyrazol-3-yl)-1H-pyrrolo[3,2-b]pyridine-3-carboxamide
CID 10216099
5-(2-pyrrolidin-1-ylethoxy)-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid
CID 18754120
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzoic acid
CID 40801831
1-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7067763
(3S)-1-[3-(2-ethoxyphenoxy)propyl]-3-methylpiperidine
CID 2300052
2-[3-[(3S)-3-methylpiperidin-1-yl]propoxy]benzaldehyde
CID 7379356
(3R)-3-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 2181992
1-[3-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]ethanone;hydrochloride
CID 2994155
1-[2-[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]ethoxy]phenyl]ethanone
CID 7394124
1-methyl-4-[4-[3-[(3R)-3-methylpiperidin-1-yl]propoxy]phenyl]pyridin-2-one
CID 67281880
1-[2-(4-bromo-2-methylphenoxy)ethyl]-3-methylpiperidine;oxalic acid
CID 2935375
4-[3-(3-methylpiperidin-1-yl)propoxy]benzaldehyde;hydrochloride
CID 2994240

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid (CID 18754129) is 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is CC1CCCN(CCCOc2ccc3[nH]cc(C(=O)O)c3n2)C1.
What is the InChIKey of 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
The InChIKey is AXUJXNCBXGMGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12-4-2-7-20(11-12)8-3-9-23-15-6-5-14-16(19-15)13(10-18-14)17(21)22/h5-6,10,12,18H,2-4,7-9,11H2,1H3,(H,21,22).
What are the key properties of 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid?
5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid has a molecular weight of 317.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-methylpiperidin-1-yl)propoxy]-1H-pyrrolo[3,2-b]pyridine-3-carboxylic acid is sourced from PubChem (CID 18754129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).