tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate

C23H24FNO4 — CID 132549703

IUPACtert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H24FNO4/c1-23(2,3)29-22(28)20-18(16-9-11-17(24)12-10-16)13-19(26)25(21(20)27)14-15-7-5-4-6-8-15/h4-12,18,20H,13-14H2,1-3H3/t18-,20-/m0/s1
InChIKeyRXPWXQBOZWPQCD-ICSRJNTNSA-N
MW397.45 g/mol
LogP3.83
Rot. Bonds4

About tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate

tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate (PubChem CID 132549703) has the molecular formula C23H24FNO4 and a molecular weight of 397.45 g/mol. Its IUPAC name is tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
PubChem CID132549703
Molecular FormulaC23H24FNO4
Molecular Weight397.45 g/mol
Exact Mass397.17
IUPAC Nametert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCC(C)(C)OC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C23H24FNO4/c1-23(2,3)29-22(28)20-18(16-9-11-17(24)12-10-16)13-19(26)25(21(20)27)14-15-7-5-4-6-8-15/h4-12,18,20H,13-14H2,1-3H3/t18-,20-/m0/s1
InChIKeyRXPWXQBOZWPQCD-ICSRJNTNSA-N
XLogP3.83
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-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 (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate (CID 132549703) is tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate is CC(C)(C)OC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is RXPWXQBOZWPQCD-ICSRJNTNSA-N. The full InChI is InChI=1S/C23H24FNO4/c1-23(2,3)29-22(28)20-18(16-9-11-17(24)12-10-16)13-19(26)25(21(20)27)14-15-7-5-4-6-8-15/h4-12,18,20H,13-14H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate has a molecular weight of 397.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 132549703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).