N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide

C12H12FN3O3 — CID 66061213

IUPACN-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3/c1-7-11(18)15-10(17)6-16(7)12(19)14-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyVAOLYEAVCWYPEB-UHFFFAOYSA-N
MW265.24 g/mol
LogP0.70
Rot. Bonds1

About N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide

N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide (PubChem CID 66061213) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
PubChem CID66061213
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC NameN-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide
SMILESCC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1
InChIInChI=1S/C12H12FN3O3/c1-7-11(18)15-10(17)6-16(7)12(19)14-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,14,19)(H,15,17,18)
InChIKeyVAOLYEAVCWYPEB-UHFFFAOYSA-N
XLogP0.70
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,1-Dimethyl-3-(4-fluorophenyl)urea
CID 9514
4-Morpholinecarboxamide, N-(4-fluorophenyl)-
CID 100827
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
1-Phenylimidazolidine-2,4-dione
CID 570576
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
1-Phenyl-1,3-diazinane-2,4-dione
CID 638639
1-(2-Fluorophenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2274725
N-phenylpiperazine-1-carboxamide hydrochloride
CID 16265344
3-Phenylimidazolidine-2,4-dione
CID 227930
1-Phenyl-3-(1-propionylpiperidin-4-yl)urea
CID 47379737
N-[1-(4-fluorophenyl)-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]acetamide
CID 2966964
6-anilino-3-methyl-1H-pyrimidine-2,4-dione
CID 777246

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide (CID 66061213) is N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide is CC1C(=O)NC(=O)CN1C(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide?
The InChIKey is VAOLYEAVCWYPEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c1-7-11(18)15-10(17)6-16(7)12(19)14-9-4-2-8(13)3-5-9/h2-5,7H,6H2,1H3,(H,14,19)(H,15,17,18).
What are the key properties of N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide?
N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide has a molecular weight of 265.24 g/mol, XLogP of 0.70, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-methyl-3,5-dioxopiperazine-1-carboxamide is sourced from PubChem (CID 66061213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).