4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide

C11H12FN3O2 — CID 175909632

IUPAC4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccc(F)cc2)C(=O)CN1
InChIInChI=1S/C11H12FN3O2/c12-7-1-3-8(4-2-7)15-6-9(11(13)17)14-5-10(15)16/h1-4,9,14H,5-6H2,(H2,13,17)
InChIKeyTUEOSBZYSVMSOA-UHFFFAOYSA-N
MW237.23 g/mol
LogP-0.38
Rot. Bonds2

About 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide

4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 175909632) has the molecular formula C11H12FN3O2 and a molecular weight of 237.23 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide
PubChem CID175909632
Molecular FormulaC11H12FN3O2
Molecular Weight237.23 g/mol
Exact Mass237.09
IUPAC Name4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide
SMILESNC(=O)C1CN(c2ccc(F)cc2)C(=O)CN1
InChIInChI=1S/C11H12FN3O2/c12-7-1-3-8(4-2-7)15-6-9(11(13)17)14-5-10(15)16/h1-4,9,14H,5-6H2,(H2,13,17)
InChIKeyTUEOSBZYSVMSOA-UHFFFAOYSA-N
XLogP-0.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.23
LogP ≤ 5-0.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548387
N-(1-carbamoylazetidin-3-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 146023023
1-(4-fluorophenyl)-5-hydroxypiperidin-2-one
CID 117013916
(3R)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxylate
CID 6935573
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
S-[[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168668249
1-(4-fluorophenyl)piperazine-2,5-dione
CID 64955202
(3S)-1-(4-fluorophenyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 686846
4-fluoro-N-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822276
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-cyclopentyl-3-[1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970310
1-cyclopentyl-3-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7548063

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide (CID 175909632) is 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide is NC(=O)C1CN(c2ccc(F)cc2)C(=O)CN1.
What is the InChIKey of 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is TUEOSBZYSVMSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2/c12-7-1-3-8(4-2-7)15-6-9(11(13)17)14-5-10(15)16/h1-4,9,14H,5-6H2,(H2,13,17).
What are the key properties of 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide?
4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 237.23 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 175909632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).