tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate

C18H26N4O2 — CID 76846195

IUPACtert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CN2CCCCC2)c2ccc(N)cc21
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)22-16-11-13(19)7-8-14(16)15(20-22)12-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12,19H2,1-3H3
InChIKeyVPCIQSPRXQDELL-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.39
Rot. Bonds2

About tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate

tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate (PubChem CID 76846195) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
PubChem CID76846195
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Nametert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1nc(CN2CCCCC2)c2ccc(N)cc21
InChIInChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)22-16-11-13(19)7-8-14(16)15(20-22)12-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12,19H2,1-3H3
InChIKeyVPCIQSPRXQDELL-UHFFFAOYSA-N
XLogP3.39
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 6-amino-3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]indazole-1-carboxylate
CID 162715858
tert-butyl 6-amino-3-piperidin-4-ylindazole-1-carboxylate
CID 165381985
tert-butyl 3-amino-6-methylindazole-1-carboxylate
CID 71659334
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonyl-(2-piperidin-1-ylethyl)amino]-6-nitroindazole-1-carboxylate
CID 57444044
tert-butyl 4-[(4-amino-2-bromophenyl)methyl]piperazine-1-carboxylate
CID 104933456
tert-butyl 4-[(4-aminophenyl)methyl]-1,4-diazepane-1-carboxylate
CID 104933433
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-methylindazole-1-carboxylate
CID 70660042
tert-butyl 3-[3-(dimethylamino)-3-oxopropyl]-6-hydroxyindazole-1-carboxylate
CID 135929578
2-amino-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]propanoic acid
CID 155889448
tert-butyl 3-(2-bromoethyl)indazole-1-carboxylate
CID 174529401
tert-butyl 4-[(5-amino-2-methylphenyl)methyl]piperazine-1-carboxylate
CID 68628215
tert-butyl 4-[(5-amino-2-hydroxyphenyl)methyl]piperazine-1-carboxylate
CID 104933485

Frequently Asked Questions

What is the IUPAC name of tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate?
The IUPAC name of tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate (CID 76846195) is tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate.
What is the SMILES notation for tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate?
The canonical SMILES for tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate is CC(C)(C)OC(=O)n1nc(CN2CCCCC2)c2ccc(N)cc21.
What is the InChIKey of tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate?
The InChIKey is VPCIQSPRXQDELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-18(2,3)24-17(23)22-16-11-13(19)7-8-14(16)15(20-22)12-21-9-5-4-6-10-21/h7-8,11H,4-6,9-10,12,19H2,1-3H3.
What are the key properties of tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate?
tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate has a molecular weight of 330.43 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 6-amino-3-(piperidin-1-ylmethyl)indazole-1-carboxylate is sourced from PubChem (CID 76846195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).