tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate

C24H32N4O4 — CID 178017552

IUPACtert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N4O4/c1-14-12-16(10-11-28(14)23(31)32-24(2,3)4)15-6-7-17-19(13-15)27(5)26-21(17)18-8-9-20(29)25-22(18)30/h6-7,13-14,16,18H,8-12H2,1-5H3,(H,25,29,30)/t14-,16?,18?/m1/s1
InChIKeyFQVCVQQHYCWMCN-MXWWQKGMSA-N
MW440.54 g/mol
LogP3.60
Rot. Bonds2

About tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate

tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate (PubChem CID 178017552) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
PubChem CID178017552
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Nametert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate
SMILESC[C@@H]1CC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C24H32N4O4/c1-14-12-16(10-11-28(14)23(31)32-24(2,3)4)15-6-7-17-19(13-15)27(5)26-21(17)18-8-9-20(29)25-22(18)30/h6-7,13-14,16,18H,8-12H2,1-5H3,(H,25,29,30)/t14-,16?,18?/m1/s1
InChIKeyFQVCVQQHYCWMCN-MXWWQKGMSA-N
XLogP3.60
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-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

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate (CID 178017552) is tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate is C[C@@H]1CC(c2ccc3c(C4CCC(=O)NC4=O)nn(C)c3c2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate?
The InChIKey is FQVCVQQHYCWMCN-MXWWQKGMSA-N. The full InChI is InChI=1S/C24H32N4O4/c1-14-12-16(10-11-28(14)23(31)32-24(2,3)4)15-6-7-17-19(13-15)27(5)26-21(17)18-8-9-20(29)25-22(18)30/h6-7,13-14,16,18H,8-12H2,1-5H3,(H,25,29,30)/t14-,16?,18?/m1/s1.
What are the key properties of tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate?
tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-4-[3-(2,6-dioxopiperidin-3-yl)-1-methylindazol-6-yl]-2-methylpiperidine-1-carboxylate is sourced from PubChem (CID 178017552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).