3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

C21H26N4O4 — CID 170434898

IUPAC3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4OCCO4)CC3)cc21
InChIInChI=1S/C21H26N4O4/c1-24-17-12-14(25-8-6-13(7-9-25)21-28-10-11-29-21)2-3-15(17)19(23-24)16-4-5-18(26)22-20(16)27/h2-3,12-13,16,21H,4-11H2,1H3,(H,22,26,27)
InChIKeyIIFXDDAFZHMGCM-UHFFFAOYSA-N
MW398.46 g/mol
LogP1.68
Rot. Bonds3

About 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 170434898) has the molecular formula C21H26N4O4 and a molecular weight of 398.46 g/mol. Its IUPAC name is 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID170434898
Molecular FormulaC21H26N4O4
Molecular Weight398.46 g/mol
Exact Mass398.20
IUPAC Name3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4OCCO4)CC3)cc21
InChIInChI=1S/C21H26N4O4/c1-24-17-12-14(25-8-6-13(7-9-25)21-28-10-11-29-21)2-3-15(17)19(23-24)16-4-5-18(26)22-20(16)27/h2-3,12-13,16,21H,4-11H2,1H3,(H,22,26,27)
InChIKeyIIFXDDAFZHMGCM-UHFFFAOYSA-N
XLogP1.68
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

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
2-[1-[3-[(3R)-2,6-dioxopiperidin-3-yl]-1-methylindazol-6-yl]piperidin-4-yl]acetic acid
CID 156507226
3-[6-[4-[difluoro(piperidin-4-yl)methyl]piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 178161716
ethyl 4-[[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]methyl]piperidine-1-carboxylate;hydrofluoride
CID 178160958
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
tert-butyl 4-[2-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate;ethane
CID 178160748
3-[1-methyl-6-[3-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170322501
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
ethyl 4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]oxypiperidine-1-carboxylate
CID 178161660
3-[1-methyl-6-[(2R)-2-methylpiperazin-4-ium-1-yl]indazol-3-yl]piperidine-2,6-dione chloride
CID 172587152
3-[1-methyl-6-(3-methyl-2-oxopiperidin-1-yl)indazol-3-yl]piperidine-2,6-dione
CID 176947865

Frequently Asked Questions

What is the IUPAC name of 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 170434898) is 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(N3CCC(C4OCCO4)CC3)cc21.
What is the InChIKey of 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is IIFXDDAFZHMGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4/c1-24-17-12-14(25-8-6-13(7-9-25)21-28-10-11-29-21)2-3-15(17)19(23-24)16-4-5-18(26)22-20(16)27/h2-3,12-13,16,21H,4-11H2,1H3,(H,22,26,27).
What are the key properties of 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 398.46 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[4-(1,3-dioxolan-2-yl)piperidin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170434898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).