3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione

C25H34N4O2 — CID 178160947

IUPAC3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(CC3CCC(C4CCNCC4)CC3)cc21
InChIInChI=1S/C25H34N4O2/c1-29-22-15-17(14-16-2-5-18(6-3-16)19-10-12-26-13-11-19)4-7-20(22)24(28-29)21-8-9-23(30)27-25(21)31/h4,7,15-16,18-19,21,26H,2-3,5-6,8-14H2,1H3,(H,27,30,31)
InChIKeyXDVIQRAMYZZBEQ-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.44
Rot. Bonds4

About 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione

3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 178160947) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
PubChem CID178160947
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(CC3CCC(C4CCNCC4)CC3)cc21
InChIInChI=1S/C25H34N4O2/c1-29-22-15-17(14-16-2-5-18(6-3-16)19-10-12-26-13-11-19)4-7-20(22)24(28-29)21-8-9-23(30)27-25(21)31/h4,7,15-16,18-19,21,26H,2-3,5-6,8-14H2,1H3,(H,27,30,31)
InChIKeyXDVIQRAMYZZBEQ-UHFFFAOYSA-N
XLogP3.44
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione with MolForge

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Related Compounds

3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-(3-piperazin-1-ylpropoxy)indazol-3-yl]piperidine-2,6-dione
CID 170321837
3-[1-methyl-6-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-[1-methyl-6-[3-(piperidin-4-ylmethyl)pyrrolidin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170629938
3-[6-[(3,3-difluoropiperidin-4-yl)amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 169265599
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
3-[6-[3,3-dimethyl-4-(piperidin-4-ylmethyl)piperazin-1-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 170432701
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[5-(aminomethyl)-1-methylindazol-3-yl]piperidine-2,6-dione
CID 138460739
3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172587223
3-(1-methyl-6-propanoylindazol-3-yl)piperidine-2,6-dione
CID 167239159
4-[1-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]piperidin-4-yl]piperidine-1-carbaldehyde
CID 178160939

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione (CID 178160947) is 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(CC3CCC(C4CCNCC4)CC3)cc21.
What is the InChIKey of 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is XDVIQRAMYZZBEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-29-22-15-17(14-16-2-5-18(6-3-16)19-10-12-26-13-11-19)4-7-20(22)24(28-29)21-8-9-23(30)27-25(21)31/h4,7,15-16,18-19,21,26H,2-3,5-6,8-14H2,1H3,(H,27,30,31).
What are the key properties of 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 422.57 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-methyl-6-[(4-piperidin-4-ylcyclohexyl)methyl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 178160947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).