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

C17H20FN3O3 — CID 2980744

IUPAC1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C17H20FN3O3/c18-13-3-1-11(2-4-13)10-21-15(22)9-14(17(21)24)20-7-5-12(6-8-20)16(19)23/h1-4,12,14H,5-10H2,(H2,19,23)
InChIKeySGSCEPZXZFEJLA-UHFFFAOYSA-N
MW333.36 g/mol
LogP0.65
Rot. Bonds4

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

1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (PubChem CID 2980744) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
PubChem CID2980744
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C17H20FN3O3/c18-13-3-1-11(2-4-13)10-21-15(22)9-14(17(21)24)20-7-5-12(6-8-20)16(19)23/h1-4,12,14H,5-10H2,(H2,19,23)
InChIKeySGSCEPZXZFEJLA-UHFFFAOYSA-N
XLogP0.65
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
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-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide (CID 2980744) is 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is NC(=O)C1CCN(C2CC(=O)N(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
The InChIKey is SGSCEPZXZFEJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c18-13-3-1-11(2-4-13)10-21-15(22)9-14(17(21)24)20-7-5-12(6-8-20)16(19)23/h1-4,12,14H,5-10H2,(H2,19,23).
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide?
1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide has a molecular weight of 333.36 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]-2,5-dioxopyrrolidin-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2980744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).