tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate

C19H28N4O2 — CID 69105426

IUPACtert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate
SMILESCc1nn(C)c2cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc12
InChIInChI=1S/C19H28N4O2/c1-13-12-22(9-10-23(13)18(24)25-19(3,4)5)15-7-8-16-14(2)20-21(6)17(16)11-15/h7-8,11,13H,9-10,12H2,1-6H3
InChIKeyJYGDKPZZMXXLRV-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.33
Rot. Bonds1

About tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate

tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate (PubChem CID 69105426) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate
PubChem CID69105426
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Nametert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate
SMILESCc1nn(C)c2cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc12
InChIInChI=1S/C19H28N4O2/c1-13-12-22(9-10-23(13)18(24)25-19(3,4)5)15-7-8-16-14(2)20-21(6)17(16)11-15/h7-8,11,13H,9-10,12H2,1-6H3
InChIKeyJYGDKPZZMXXLRV-UHFFFAOYSA-N
XLogP3.33
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[(2-methyl-5-phenylpyrazol-3-yl)methyl]piperazine-1-carboxylate
CID 89682653
2-Indazol-1-yl-1-(4-propylpiperazin-1-yl)ethanone
CID 5307808
Tert-butyl 4-[[1-cyclohexyl-5-(4-propan-2-ylphenyl)pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155521275
3-Ethyl-6-(4-methylpiperazin-1-yl)-1-phenylindazole
CID 56663311
Ethyl 4-(2-indazol-1-ylacetyl)piperazine-1-carboxylate
CID 5308265
Tert-butyl 4-[[1-cyclohexyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]methyl]piperazine-1-carboxylate
CID 155520602
3-Ethyl-6-(4-ethylpiperazin-1-yl)-1-phenylindazole
CID 56673686
3-Methyl-6-(4-methylpiperazin-1-yl)-1-phenylindazole
CID 58483577
tert-butyl 3-[4-(carbamoylamino)phenyl]-2-(2,6-dimethylphenyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxylate
CID 139296776
ethyl 4-[(1H-indazol-1-ylacetyl)amino]piperidine-1-carboxylate
CID 3236312
1-(2-amino-2-oxoethyl)-N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-4-piperidinecarboxamide
CID 70751849
N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-1-isopropyl-4-piperidinecarboxamide
CID 72845404

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate (CID 69105426) is tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate is Cc1nn(C)c2cc(N3CCN(C(=O)OC(C)(C)C)C(C)C3)ccc12.
What is the InChIKey of tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate?
The InChIKey is JYGDKPZZMXXLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-13-12-22(9-10-23(13)18(24)25-19(3,4)5)15-7-8-16-14(2)20-21(6)17(16)11-15/h7-8,11,13H,9-10,12H2,1-6H3.
What are the key properties of tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate?
tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate has a molecular weight of 344.46 g/mol, XLogP of 3.33, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-dimethylindazol-6-yl)-2-methylpiperazine-1-carboxylate is sourced from PubChem (CID 69105426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).