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

C20H18FNO4 — CID 11428208

IUPACmethyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4/c1-26-20(25)18-16(14-7-9-15(21)10-8-14)11-17(23)22(19(18)24)12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-,18-/m0/s1
InChIKeyMZZAXJZWWKCLSG-WMZOPIPTSA-N
MW355.37 g/mol
LogP2.66
Rot. Bonds4

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

methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate (PubChem CID 11428208) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Namemethyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
PubChem CID11428208
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Namemethyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate
SMILESCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4/c1-26-20(25)18-16(14-7-9-15(21)10-8-14)11-17(23)22(19(18)24)12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-,18-/m0/s1
InChIKeyMZZAXJZWWKCLSG-WMZOPIPTSA-N
XLogP2.66
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.66
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 methyl (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 methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate (CID 11428208) is methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate is COC(=O)[C@@H]1C(=O)N(Cc2ccccc2)C(=O)C[C@H]1c1ccc(F)cc1.
What is the InChIKey of methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is MZZAXJZWWKCLSG-WMZOPIPTSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-26-20(25)18-16(14-7-9-15(21)10-8-14)11-17(23)22(19(18)24)12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3/t16-,18-/m0/s1.
What are the key properties of methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate?
methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate has a molecular weight of 355.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3S,4R)-1-benzyl-4-(4-fluorophenyl)-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 11428208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).