3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

C24H31N5O2 — CID 176911893

IUPAC3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(C4CC5CNCC54)CC3)cc21
InChIInChI=1S/C24H31N5O2/c1-28-20-10-15(2-3-17(20)23(27-28)18-4-5-22(30)26-24(18)31)14-6-8-29(9-7-14)21-11-16-12-25-13-19(16)21/h2-3,10,14,16,18-19,21,25H,4-9,11-13H2,1H3,(H,26,30,31)
InChIKeyKGPMOGMOBSBUGZ-UHFFFAOYSA-N
MW421.55 g/mol
LogP1.88
Rot. Bonds3

About 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione

3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (PubChem CID 176911893) has the molecular formula C24H31N5O2 and a molecular weight of 421.55 g/mol. Its IUPAC name is 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
PubChem CID176911893
Molecular FormulaC24H31N5O2
Molecular Weight421.55 g/mol
Exact Mass421.25
IUPAC Name3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(C4CC5CNCC54)CC3)cc21
InChIInChI=1S/C24H31N5O2/c1-28-20-10-15(2-3-17(20)23(27-28)18-4-5-22(30)26-24(18)31)14-6-8-29(9-7-14)21-11-16-12-25-13-19(16)21/h2-3,10,14,16,18-19,21,25H,4-9,11-13H2,1H3,(H,26,30,31)
InChIKeyKGPMOGMOBSBUGZ-UHFFFAOYSA-N
XLogP1.88
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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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-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
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-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321838
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
3-[6-[1-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
3-[6-[1-[2-(2-aminoethoxy)acetyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 176911942
3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
CID 178017758
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552
tert-butyl (2S,4S)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 170617163
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203

Frequently Asked Questions

What is the IUPAC name of 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione (CID 176911893) is 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc(C3CCN(C4CC5CNCC54)CC3)cc21.
What is the InChIKey of 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
The InChIKey is KGPMOGMOBSBUGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O2/c1-28-20-10-15(2-3-17(20)23(27-28)18-4-5-22(30)26-24(18)31)14-6-8-29(9-7-14)21-11-16-12-25-13-19(16)21/h2-3,10,14,16,18-19,21,25H,4-9,11-13H2,1H3,(H,26,30,31).
What are the key properties of 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione?
3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione has a molecular weight of 421.55 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[1-(3-azabicyclo[3.2.0]heptan-6-yl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 176911893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).