3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride

C18H24ClN5O2 — CID 172587152

IUPAC3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
SMILESC[C@@H]1C[NH2+]CCN1c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1.[Cl-]
InChIInChI=1S/C18H23N5O2.ClH/c1-11-10-19-7-8-23(11)12-3-4-13-15(9-12)22(2)21-17(13)14-5-6-16(24)20-18(14)25;/h3-4,9,11,14,19H,5-8,10H2,1-2H3,(H,20,24,25);1H/t11-,14?;/m1./s1
InChIKeyXUKIOIKFYYONEG-JEVWNTBDSA-N
MW377.88 g/mol
LogP-3.13
Rot. Bonds2

About 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride

3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride (PubChem CID 172587152) has the molecular formula C18H24ClN5O2 and a molecular weight of 377.88 g/mol. Its IUPAC name is 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride.

Molecular Properties

Compound Name3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
PubChem CID172587152
Molecular FormulaC18H24ClN5O2
Molecular Weight377.88 g/mol
Exact Mass377.16
IUPAC Name3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
SMILESC[C@@H]1C[NH2+]CCN1c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1.[Cl-]
InChIInChI=1S/C18H23N5O2.ClH/c1-11-10-19-7-8-23(11)12-3-4-13-15(9-12)22(2)21-17(13)14-5-6-16(24)20-18(14)25;/h3-4,9,11,14,19H,5-8,10H2,1-2H3,(H,20,24,25);1H/t11-,14?;/m1./s1
InChIKeyXUKIOIKFYYONEG-JEVWNTBDSA-N
XLogP-3.13
TPSA83.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.88
LogP ≤ 5-3.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170434898
3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321853
3-[6-[3-(1,3-dioxolan-2-yl)pyrrolidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 171108214
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-[1-methyl-6-[3-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170322501
3-[1-methyl-6-[8-(methylamino)-5-azaspiro[3.5]nonan-5-yl]indazol-3-yl]piperidine-2,6-dione
CID 169265697
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[6-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170432701

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride?
The IUPAC name of 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride (CID 172587152) is 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride.
What is the SMILES notation for 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride?
The canonical SMILES for 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride is C[C@@H]1C[NH2+]CCN1c1ccc2c(C3CCC(=O)NC3=O)nn(C)c2c1.[Cl-].
What is the InChIKey of 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride?
The InChIKey is XUKIOIKFYYONEG-JEVWNTBDSA-N. The full InChI is InChI=1S/C18H23N5O2.ClH/c1-11-10-19-7-8-23(11)12-3-4-13-15(9-12)22(2)21-17(13)14-5-6-16(24)20-18(14)25;/h3-4,9,11,14,19H,5-8,10H2,1-2H3,(H,20,24,25);1H/t11-,14?;/m1./s1.
What are the key properties of 3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride?
3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride has a molecular weight of 377.88 g/mol, XLogP of -3.13, 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-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride is sourced from PubChem (CID 172587152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).