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

C25H34N4O2 — CID 172591430

IUPAC3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCCCC4)CC3)cc21
InChIInChI=1S/C25H34N4O2/c1-28-22-15-19(18-11-13-29(14-12-18)16-17-5-3-2-4-6-17)7-8-20(22)24(27-28)21-9-10-23(30)26-25(21)31/h7-8,15,17-18,21H,2-6,9-14,16H2,1H3,(H,26,30,31)
InChIKeyOVKJQRGBYVZTKY-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.85
Rot. Bonds4

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

3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 172591430) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID172591430
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCCCC4)CC3)cc21
InChIInChI=1S/C25H34N4O2/c1-28-22-15-19(18-11-13-29(14-12-18)16-17-5-3-2-4-6-17)7-8-20(22)24(27-28)21-9-10-23(30)26-25(21)31/h7-8,15,17-18,21H,2-6,9-14,16H2,1H3,(H,26,30,31)
InChIKeyOVKJQRGBYVZTKY-UHFFFAOYSA-N
XLogP3.85
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Related Compounds

3-[6-[1-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
[4-[[4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-1-yl]methyl]cyclohexyl] 4-aminopiperidine-1-carboxylate
CID 172590171
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
CID 178017758
3-[6-[4-(4-cyclohexylbutyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 175632297
3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911893
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 172591430) is 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(CC4CCCCC4)CC3)cc21.
What is the InChIKey of 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is OVKJQRGBYVZTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-28-22-15-19(18-11-13-29(14-12-18)16-17-5-3-2-4-6-17)7-8-20(22)24(27-28)21-9-10-23(30)26-25(21)31/h7-8,15,17-18,21H,2-6,9-14,16H2,1H3,(H,26,30,31).
What are the key properties of 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 422.57 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 172591430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).