1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

C16H18FN3O3 — CID 664849

IUPAC1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C16H18FN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)
InChIKeyHDXHAEYBVYIETN-UHFFFAOYSA-N
MW319.34 g/mol
LogP0.65
Rot. Bonds3

About 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide

1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 664849) has the molecular formula C16H18FN3O3 and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID664849
Molecular FormulaC16H18FN3O3
Molecular Weight319.34 g/mol
Exact Mass319.13
IUPAC Name1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1
InChIInChI=1S/C16H18FN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22)
InChIKeyHDXHAEYBVYIETN-UHFFFAOYSA-N
XLogP0.65
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 664849) is 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CC(=O)N(c3cccc(F)c3)C2=O)CC1.
What is the InChIKey of 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is HDXHAEYBVYIETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3/c17-11-2-1-3-12(8-11)20-14(21)9-13(16(20)23)19-6-4-10(5-7-19)15(18)22/h1-3,8,10,13H,4-7,9H2,(H2,18,22).
What are the key properties of 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 319.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-fluorophenyl)-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 664849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).