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

C18H22N4O2 — CID 170321838

IUPAC3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCCNC3)cc21
InChIInChI=1S/C18H22N4O2/c1-22-15-9-11(12-3-2-8-19-10-12)4-5-13(15)17(21-22)14-6-7-16(23)20-18(14)24/h4-5,9,12,14,19H,2-3,6-8,10H2,1H3,(H,20,23,24)/t12-,14?/m0/s1
InChIKeyJHACCXUHKIACDS-NBFOIZRFSA-N
MW326.40 g/mol
LogP1.56
Rot. Bonds2

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

3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione (PubChem CID 170321838) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
PubChem CID170321838
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione
SMILESCn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCCNC3)cc21
InChIInChI=1S/C18H22N4O2/c1-22-15-9-11(12-3-2-8-19-10-12)4-5-13(15)17(21-22)14-6-7-16(23)20-18(14)24/h4-5,9,12,14,19H,2-3,6-8,10H2,1H3,(H,20,23,24)/t12-,14?/m0/s1
InChIKeyJHACCXUHKIACDS-NBFOIZRFSA-N
XLogP1.56
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.56
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-[(3R)-pyrrolidin-3-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321612
3-(1-methyl-6-piperidin-4-ylindazol-3-yl)piperidine-2,6-dione;hydrochloride
CID 170907583
3-[1-methyl-6-(thiazocan-5-yl)indazol-3-yl]piperidine-2,6-dione
CID 178017758
3-[1-methyl-6-[1-(1-piperidin-4-ylethyl)piperidin-4-yl]indazol-3-yl]piperidine-2,6-dione
CID 170432767
2-[3-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]azetidin-1-yl]acetic acid
CID 166168890
3-[6-[1-(cyclohexylmethyl)piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172591430
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-[(4-aminocyclohexyl)methyl]piperidin-4-yl]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172590483
3-(6-cyclohexyl-1-methylindazol-3-yl)piperidine-2,6-dione;ethyl 4-methylpiperidine-1-carboxylate
CID 178161203
3-[6-[[(3S,4R)-3-fluoropiperidin-4-yl]amino]-1-methylindazol-3-yl]piperidine-2,6-dione
CID 172587223
3-[1-methyl-6-[2-(trifluoromethyl)piperazin-1-yl]indazol-3-yl]piperidine-2,6-dione
CID 170321853
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
CID 178017552

Frequently Asked Questions

What is the IUPAC name of 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The IUPAC name of 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione (CID 170321838) is 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione is Cn1nc(C2CCC(=O)NC2=O)c2ccc([C@H]3CCCNC3)cc21.
What is the InChIKey of 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
The InChIKey is JHACCXUHKIACDS-NBFOIZRFSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-22-15-9-11(12-3-2-8-19-10-12)4-5-13(15)17(21-22)14-6-7-16(23)20-18(14)24/h4-5,9,12,14,19H,2-3,6-8,10H2,1H3,(H,20,23,24)/t12-,14?/m0/s1.
What are the key properties of 3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione?
3-[1-methyl-6-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione has a molecular weight of 326.40 g/mol, XLogP of 1.56, 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-[(3R)-piperidin-3-yl]indazol-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 170321838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).