3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole

C20H31N3O — CID 10131530

IUPAC3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole
SMILESCCCCC1CCN(CCCc2[nH]nc3cccc(OC)c23)CC1
InChIInChI=1S/C20H31N3O/c1-3-4-7-16-11-14-23(15-12-16)13-6-9-18-20-17(21-22-18)8-5-10-19(20)24-2/h5,8,10,16H,3-4,6-7,9,11-15H2,1-2H3,(H,21,22)
InChIKeyVWOSKZWOYAHUDJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP4.41
Rot. Bonds8

About 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole

3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole (PubChem CID 10131530) has the molecular formula C20H31N3O and a molecular weight of 329.49 g/mol. Its IUPAC name is 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole.

Molecular Properties

Compound Name3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole
PubChem CID10131530
Molecular FormulaC20H31N3O
Molecular Weight329.49 g/mol
Exact Mass329.25
IUPAC Name3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole
SMILESCCCCC1CCN(CCCc2[nH]nc3cccc(OC)c23)CC1
InChIInChI=1S/C20H31N3O/c1-3-4-7-16-11-14-23(15-12-16)13-6-9-18-20-17(21-22-18)8-5-10-19(20)24-2/h5,8,10,16H,3-4,6-7,9,11-15H2,1-2H3,(H,21,22)
InChIKeyVWOSKZWOYAHUDJ-UHFFFAOYSA-N
XLogP4.41
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole?
The IUPAC name of 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole (CID 10131530) is 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole.
What is the SMILES notation for 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole?
The canonical SMILES for 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole is CCCCC1CCN(CCCc2[nH]nc3cccc(OC)c23)CC1.
What is the InChIKey of 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole?
The InChIKey is VWOSKZWOYAHUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O/c1-3-4-7-16-11-14-23(15-12-16)13-6-9-18-20-17(21-22-18)8-5-10-19(20)24-2/h5,8,10,16H,3-4,6-7,9,11-15H2,1-2H3,(H,21,22).
What are the key properties of 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole?
3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole has a molecular weight of 329.49 g/mol, XLogP of 4.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-butylpiperidin-1-yl)propyl]-4-methoxy-2H-indazole is sourced from PubChem (CID 10131530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).