3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole

C23H34N4O2 — CID 175761401

IUPAC3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole
SMILESCc1nn(C2CCCNC2)c2cccc(OC3CC(COC4CCNCC4)C3)c12
InChIInChI=1S/C23H34N4O2/c1-16-23-21(27(26-16)18-4-3-9-25-14-18)5-2-6-22(23)29-20-12-17(13-20)15-28-19-7-10-24-11-8-19/h2,5-6,17-20,24-25H,3-4,7-15H2,1H3
InChIKeyUVSVXVBDMGFDFW-UHFFFAOYSA-N
MW398.55 g/mol
LogP3.20
Rot. Bonds6

About 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole

3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole (PubChem CID 175761401) has the molecular formula C23H34N4O2 and a molecular weight of 398.55 g/mol. Its IUPAC name is 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole.

Molecular Properties

Compound Name3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole
PubChem CID175761401
Molecular FormulaC23H34N4O2
Molecular Weight398.55 g/mol
Exact Mass398.27
IUPAC Name3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole
SMILESCc1nn(C2CCCNC2)c2cccc(OC3CC(COC4CCNCC4)C3)c12
InChIInChI=1S/C23H34N4O2/c1-16-23-21(27(26-16)18-4-3-9-25-14-18)5-2-6-22(23)29-20-12-17(13-20)15-28-19-7-10-24-11-8-19/h2,5-6,17-20,24-25H,3-4,7-15H2,1H3
InChIKeyUVSVXVBDMGFDFW-UHFFFAOYSA-N
XLogP3.20
TPSA60.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.55
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(difluoromethyl)-1-[4-[[4-[3-[(3-methyl-1-piperidin-3-ylindazol-4-yl)oxymethyl]cyclobutyl]oxypiperidin-1-yl]methyl]cyclohexyl]pyrazol-4-amine
CID 175761270
4-[3-(3-methyl-1-piperidin-3-ylindazol-4-yl)prop-2-ynoxy]cyclohexan-1-one
CID 175761399
3,4-dimethyl-1-piperidin-4-ylindazole
CID 84692853
3-[3-methyl-4-(3-piperidin-4-yloxycyclobutyl)oxyindazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175469479
1,3-dimethyl-4-(piperidin-3-ylmethyl)indazole
CID 117360761
3-methyl-1-pyrrolidin-3-ylindazol-7-ol
CID 84682925
4-(2-fluoro-3-methylphenoxy)azepane
CID 107661448
1-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)cyclopropan-1-amine
CID 105495263
4-(2-methoxyphenoxy)-1-piperidin-3-ylpiperidine
CID 56713457
3-[3-methyl-4-[3-[(3R)-pyrrolidin-3-yl]oxyprop-1-ynyl]indazol-1-yl]piperidine-2,6-dione
CID 164596399
3-(3,5-dimethylpyrazol-1-yl)piperidine
CID 54592912
2-(3,5-dimethyl-1-piperidin-3-ylpyrazol-4-yl)acetonitrile
CID 105473102

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole?
The IUPAC name of 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole (CID 175761401) is 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole.
What is the SMILES notation for 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole?
The canonical SMILES for 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole is Cc1nn(C2CCCNC2)c2cccc(OC3CC(COC4CCNCC4)C3)c12.
What is the InChIKey of 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole?
The InChIKey is UVSVXVBDMGFDFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N4O2/c1-16-23-21(27(26-16)18-4-3-9-25-14-18)5-2-6-22(23)29-20-12-17(13-20)15-28-19-7-10-24-11-8-19/h2,5-6,17-20,24-25H,3-4,7-15H2,1H3.
What are the key properties of 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole?
3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole has a molecular weight of 398.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-piperidin-3-yl-4-[3-(piperidin-4-yloxymethyl)cyclobutyl]oxyindazole is sourced from PubChem (CID 175761401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).