ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

C19H24FN3O4 — CID 113185239

IUPACethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)Nc3ccccc3F)CC2=O)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-19(26)22-9-7-14(8-10-22)23-12-13(11-17(23)24)18(25)21-16-6-4-3-5-15(16)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,25)
InChIKeyMLJCQPZNIPACPJ-UHFFFAOYSA-N
MW377.42 g/mol
LogP2.23
Rot. Bonds4

About ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate

ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (PubChem CID 113185239) has the molecular formula C19H24FN3O4 and a molecular weight of 377.42 g/mol. Its IUPAC name is ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
PubChem CID113185239
Molecular FormulaC19H24FN3O4
Molecular Weight377.42 g/mol
Exact Mass377.18
IUPAC Nameethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(N2CC(C(=O)Nc3ccccc3F)CC2=O)CC1
InChIInChI=1S/C19H24FN3O4/c1-2-27-19(26)22-9-7-14(8-10-22)23-12-13(11-17(23)24)18(25)21-16-6-4-3-5-15(16)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,25)
InChIKeyMLJCQPZNIPACPJ-UHFFFAOYSA-N
XLogP2.23
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[4-[(4-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185240
ethyl 4-[4-[(2,6-dimethylphenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185234
ethyl 4-[4-[methyl(phenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate
CID 113185227
(3S)-1-(4-ethoxyphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6549615
(3R)-1-cyclohexyl-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 40822798
1-cyclopentyl-N-(2-fluoro-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 43024507
(3R)-N-[2-[(2R)-butan-2-yl]phenyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364707
1-cyclohexyl-N-[2-(2-ethoxyphenyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 46978039
1-(2-ethyl-6-methylphenyl)-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186454
(3R)-1-cyclopentyl-N-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9364595
1-butan-2-yl-N-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113182188
ethyl 4-[5-[(2-fluorophenyl)carbamoyl]-1,3-dioxoisoindol-2-yl]piperidine-1-carboxylate
CID 46253372

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate (CID 113185239) is ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is CCOC(=O)N1CCC(N2CC(C(=O)Nc3ccccc3F)CC2=O)CC1.
What is the InChIKey of ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
The InChIKey is MLJCQPZNIPACPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O4/c1-2-27-19(26)22-9-7-14(8-10-22)23-12-13(11-17(23)24)18(25)21-16-6-4-3-5-15(16)20/h3-6,13-14H,2,7-12H2,1H3,(H,21,25).
What are the key properties of ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate?
ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate has a molecular weight of 377.42 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[(2-fluorophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]piperidine-1-carboxylate is sourced from PubChem (CID 113185239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).