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

C20H18FNO4 — CID 10269578

IUPACbenzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
SMILESCN1C(=O)CC(c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C20H18FNO4/c1-22-17(23)11-16(14-7-9-15(21)10-8-14)18(19(22)24)20(25)26-12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3
InChIKeyZSFFBCOQDSZXRC-UHFFFAOYSA-N
MW355.37 g/mol
LogP2.66
Rot. Bonds4

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

benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate (PubChem CID 10269578) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
PubChem CID10269578
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Namebenzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate
SMILESCN1C(=O)CC(c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C1=O
InChIInChI=1S/C20H18FNO4/c1-22-17(23)11-16(14-7-9-15(21)10-8-14)18(19(22)24)20(25)26-12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3
InChIKeyZSFFBCOQDSZXRC-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate?
The IUPAC name of benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate (CID 10269578) is benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate.
What is the SMILES notation for benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate?
The canonical SMILES for benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate is CN1C(=O)CC(c2ccc(F)cc2)C(C(=O)OCc2ccccc2)C1=O.
What is the InChIKey of benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate?
The InChIKey is ZSFFBCOQDSZXRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FNO4/c1-22-17(23)11-16(14-7-9-15(21)10-8-14)18(19(22)24)20(25)26-12-13-5-3-2-4-6-13/h2-10,16,18H,11-12H2,1H3.
What are the key properties of benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate?
benzyl 4-(4-fluorophenyl)-1-methyl-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 benzyl 4-(4-fluorophenyl)-1-methyl-2,6-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 10269578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).