[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C17H21N3O3 — CID 7372633

IUPAC[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESCC1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-11-7-9-20(10-8-11)16(21)12(2)23-17(22)15-13-5-3-4-6-14(13)18-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyIZBXRYRDOCSCAN-LBPRGKRZSA-N
MW315.37 g/mol
LogP2.37
Rot. Bonds3

About [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 7372633) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID7372633
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESCC1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)CC1
InChIInChI=1S/C17H21N3O3/c1-11-7-9-20(10-8-11)16(21)12(2)23-17(22)15-13-5-3-4-6-14(13)18-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1
InChIKeyIZBXRYRDOCSCAN-LBPRGKRZSA-N
XLogP2.37
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2R)-1-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7649546
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-methyl-4-oxophthalazine-1-carboxylate
CID 18079053
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 16525586
[(2S)-1-(cyclopentylamino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630770
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 1H-indazole-3-carboxylate
CID 2636813
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 3-chloro-1-benzothiophene-2-carboxylate
CID 7395258
1H-indazol-3-yl 4-methylpiperidine-1-carboxylate
CID 11184512
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
[1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-methylsulfonylbenzoate
CID 18080328
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
2-amino-1-[4-(1H-indazole-3-carbonyl)piperazin-1-yl]-3-methylbutan-1-one
CID 170858444

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 7372633) is [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is CC1CCN(C(=O)[C@H](C)OC(=O)c2n[nH]c3ccccc23)CC1.
What is the InChIKey of [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is IZBXRYRDOCSCAN-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-11-7-9-20(10-8-11)16(21)12(2)23-17(22)15-13-5-3-4-6-14(13)18-19-15/h3-6,11-12H,7-10H2,1-2H3,(H,18,19)/t12-/m0/s1.
What are the key properties of [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 7372633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).