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

C17H23N3O3 — CID 155248638

IUPACtert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2[nH]c(=O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)15(21)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyRJFGZPDRCAQNQG-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.90
Rot. Bonds1

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

tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate (PubChem CID 155248638) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
PubChem CID155248638
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Nametert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(n2[nH]c(=O)c3ccccc32)CC1
InChIInChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)15(21)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyRJFGZPDRCAQNQG-UHFFFAOYSA-N
XLogP2.90
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-(5-oxo-1H-pyrazol-2-yl)piperidine-1-carboxylate
CID 164914870
[1-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]indol-3-yl]oxyboronic acid
CID 175503575
tert-butyl 4-(3-bromoindazol-1-yl)azepane-1-carboxylate
CID 178042915
tert-butyl 4-[(4-oxo-3H-phthalazin-1-yl)oxy]piperidine-1-carboxylate
CID 142713810
tert-butyl 4-(2-hydroxy-2,3-dihydrobenzimidazol-1-yl)piperidine-1-carboxylate
CID 126544996
tert-butyl 4-(2-phenylpiperidin-1-yl)piperidine-1-carboxylate
CID 10759909
tert-butyl 4-(2-fluorophenyl)sulfanylpiperidine-1-carboxylate
CID 118159157
tert-butyl 4-(2-oxo-3H-indol-1-yl)piperidine-1-carboxylate
CID 67472855
tert-butyl 4-[3-(1,3-dioxoisoindol-2-yl)azetidin-1-yl]piperidine-1-carboxylate
CID 166030831
tert-butyl 4-[3-(3-bromopropyl)-2-oxobenzimidazol-1-yl]piperidine-1-carboxylate
CID 71650694
tert-butyl 4-(4-hydroxynaphthalen-1-yl)piperidine-1-carboxylate
CID 130377896
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
CID 141001592

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate (CID 155248638) is tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(n2[nH]c(=O)c3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate?
The InChIKey is RJFGZPDRCAQNQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-17(2,3)23-16(22)19-10-8-12(9-11-19)20-14-7-5-4-6-13(14)15(21)18-20/h4-7,12H,8-11H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate?
tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate has a molecular weight of 317.39 g/mol, XLogP of 2.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(3-oxo-2H-indazol-1-yl)piperidine-1-carboxylate is sourced from PubChem (CID 155248638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).