3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride

C18H23ClN4O2 — CID 170907583

IUPAC3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)cc21
InChIInChI=1S/C18H22N4O2.ClH/c1-22-15-10-12(11-6-8-19-9-7-11)2-3-13(15)17(21-22)14-4-5-16(23)20-18(14)24;/h2-3,10-11,14,19H,4-9H2,1H3,(H,20,23,24);1H
InChIKeyAWHFRGNPEYNITG-UHFFFAOYSA-N
MW362.86 g/mol
LogP1.98
Rot. Bonds2

About 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride

3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride (PubChem CID 170907583) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride.

Molecular Properties

Compound Name3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
PubChem CID170907583
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
SMILESCl.Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)cc21
InChIInChI=1S/C18H22N4O2.ClH/c1-22-15-10-12(11-6-8-19-9-7-11)2-3-13(15)17(21-22)14-4-5-16(23)20-18(14)24;/h2-3,10-11,14,19H,4-9H2,1H3,(H,20,23,24);1H
InChIKeyAWHFRGNPEYNITG-UHFFFAOYSA-N
XLogP1.98
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride?
The IUPAC name of 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride (CID 170907583) is 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride.
What is the SMILES notation for 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride?
The canonical SMILES for 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride is Cl.Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)cc21.
What is the InChIKey of 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride?
The InChIKey is AWHFRGNPEYNITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-22-15-10-12(11-6-8-19-9-7-11)2-3-13(15)17(21-22)14-4-5-16(23)20-18(14)24;/h2-3,10-11,14,19H,4-9H2,1H3,(H,20,23,24);1H.
What are the key properties of 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride?
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride is sourced from PubChem (CID 170907583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).