tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate

C18H25N3O2 — CID 167016405

IUPACtert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C18H25N3O2/c1-12-5-6-15-14(11-12)16(20-19-15)13-7-9-21(10-8-13)17(22)23-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20)
InChIKeyRSIXLIBRNBKMCC-UHFFFAOYSA-N
MW315.42 g/mol
LogP3.99
Rot. Bonds1

About tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate

tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate (PubChem CID 167016405) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
PubChem CID167016405
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Nametert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate
SMILESCc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1
InChIInChI=1S/C18H25N3O2/c1-12-5-6-15-14(11-12)16(20-19-15)13-7-9-21(10-8-13)17(22)23-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20)
InChIKeyRSIXLIBRNBKMCC-UHFFFAOYSA-N
XLogP3.99
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 3-(5-methyl-2H-indazol-3-yl)pyrrolidine-1-carboxylate
CID 167016878
N-cyclopropyl-4-(6-methyl-2H-indazol-3-yl)piperidine-1-carboxamide
CID 71499152
tert-butyl 4-(6-methylquinolin-4-yl)oxypiperidine-1-carboxylate
CID 143199953
tert-butyl 4-(2-amino-5-methylphenyl)piperidine-1-carboxylate
CID 172675049
tert-butyl 2-(3-cyclopropyl-2H-indazol-5-yl)acetate
CID 170992050
tert-butyl 4-(2,5-dimethyl-1H-imidazol-4-yl)piperidine-1-carboxylate
CID 89492306
tert-butyl 4-(2-methyl-4-oxo-3H-quinazolin-6-yl)piperidine-1-carboxylate
CID 166066269
tert-butyl 4-(6-methylnaphthalen-1-yl)piperidine-1-carboxylate;4-(6-methylnaphthalen-1-yl)piperidine;hydrochloride
CID 161199294
tert-butyl 4-[2-(2,6-dimethyl-4-pyridinyl)-3-methyl-1H-pyrrolo[2,3-b]pyridin-6-yl]piperidine-1-carboxylate
CID 164553554
tert-butyl 4-[3-amino-4-(3,4-dimethoxyphenyl)-1H-pyrazol-5-yl]piperidine-1-carboxylate
CID 66889503
tert-butyl 4-(6-cyclopropyl-1H-benzimidazol-2-yl)piperidine-1-carboxylate
CID 58548451
tert-butyl 3,4-dihydroxypiperidine-1-carboxylate;3-chloro-6-methyl-9H-carbazole;ethane
CID 145273604

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate (CID 167016405) is tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate is Cc1ccc2n[nH]c(C3CCN(C(=O)OC(C)(C)C)CC3)c2c1.
What is the InChIKey of tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate?
The InChIKey is RSIXLIBRNBKMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-12-5-6-15-14(11-12)16(20-19-15)13-7-9-21(10-8-13)17(22)23-18(2,3)4/h5-6,11,13H,7-10H2,1-4H3,(H,19,20).
What are the key properties of tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate?
tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate has a molecular weight of 315.42 g/mol, XLogP of 3.99, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-2H-indazol-3-yl)piperidine-1-carboxylate is sourced from PubChem (CID 167016405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).