[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C18H23N3O3 — CID 7649546

IUPAC[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3/c1-11-7-6-8-12(2)21(11)17(22)13(3)24-18(23)16-14-9-4-5-10-15(14)19-20-16/h4-5,9-13H,6-8H2,1-3H3,(H,19,20)/t11-,12+,13-/m1/s1
InChIKeyMZYGNGGHOZFXSX-FRRDWIJNSA-N
MW329.40 g/mol
LogP2.90
Rot. Bonds3

About [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 7649546) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID7649546
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C18H23N3O3/c1-11-7-6-8-12(2)21(11)17(22)13(3)24-18(23)16-14-9-4-5-10-15(14)19-20-16/h4-5,9-13H,6-8H2,1-3H3,(H,19,20)/t11-,12+,13-/m1/s1
InChIKeyMZYGNGGHOZFXSX-FRRDWIJNSA-N
XLogP2.90
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate with MolForge

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Related Compounds

[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372633
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 16525586
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[(2R)-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 4-benzoylbenzoate
CID 7284251
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
N-(2,6-dimethylpiperidin-1-yl)-1H-indazole-3-carboxamide
CID 78974865
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
[1-[(1,1-dioxothiolan-3-yl)-methylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 55416793
[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 2-(1,4-dioxo-3H-phthalazin-2-yl)acetate
CID 7225978
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2636114

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 7649546) is [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is C[C@@H]1CCC[C@H](C)N1C(=O)[C@@H](C)OC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is MZYGNGGHOZFXSX-FRRDWIJNSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-11-7-6-8-12(2)21(11)17(22)13(3)24-18(23)16-14-9-4-5-10-15(14)19-20-16/h4-5,9-13H,6-8H2,1-3H3,(H,19,20)/t11-,12+,13-/m1/s1.
What are the key properties of [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 329.40 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7649546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).