4-(2-amino-3-fluorophenyl)piperazine-2,6-dione

C10H10FN3O2 — CID 66082916

IUPAC4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
SMILESNc1c(F)cccc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H10FN3O2/c11-6-2-1-3-7(10(6)12)14-4-8(15)13-9(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeyMOHYWIUBMUXMPQ-UHFFFAOYSA-N
MW223.21 g/mol
LogP-0.13
Rot. Bonds1

About 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione

4-(2-amino-3-fluorophenyl)piperazine-2,6-dione (PubChem CID 66082916) has the molecular formula C10H10FN3O2 and a molecular weight of 223.21 g/mol. Its IUPAC name is 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione.

Molecular Properties

Compound Name4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
PubChem CID66082916
Molecular FormulaC10H10FN3O2
Molecular Weight223.21 g/mol
Exact Mass223.08
IUPAC Name4-(2-amino-3-fluorophenyl)piperazine-2,6-dione
SMILESNc1c(F)cccc1N1CC(=O)NC(=O)C1
InChIInChI=1S/C10H10FN3O2/c11-6-2-1-3-7(10(6)12)14-4-8(15)13-9(16)5-14/h1-3H,4-5,12H2,(H,13,15,16)
InChIKeyMOHYWIUBMUXMPQ-UHFFFAOYSA-N
XLogP-0.13
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.21
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 27491
Opaviraline
CID 154048
2-Aminoacetanilide
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Oxanilide
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Ethanaminium, N,N-dimethyl-2-oxo-N-(2-oxo-2-(phenylamino)ethyl)-2-(phenylamino)-, chloride (1:1)
CID 13966
4-Propanoyl-1,2,3,4-tetrahydroquinoxalin-2-one
CID 8551010
1,4-Dimethylquinoxaline-2,3-dione
CID 351421
N-(3-fluorophenyl)-3-(4-methylpiperazin-1-yl)propanamide
CID 649412
N-Phenyl-1-piperidineacetamide
CID 78402
4-Morpholineacetamide, N-phenyl-
CID 201328
5-Fluoro-2-(4-methylpiperazin-1-yl)aniline
CID 6485406
1-[4-(4-Aminophenyl)piperazin-1-yl]ethan-1-one
CID 736269

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione?
The IUPAC name of 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione (CID 66082916) is 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione.
What is the SMILES notation for 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione?
The canonical SMILES for 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione is Nc1c(F)cccc1N1CC(=O)NC(=O)C1.
What is the InChIKey of 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione?
The InChIKey is MOHYWIUBMUXMPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O2/c11-6-2-1-3-7(10(6)12)14-4-8(15)13-9(16)5-14/h1-3H,4-5,12H2,(H,13,15,16).
What are the key properties of 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione?
4-(2-amino-3-fluorophenyl)piperazine-2,6-dione has a molecular weight of 223.21 g/mol, XLogP of -0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-fluorophenyl)piperazine-2,6-dione is sourced from PubChem (CID 66082916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).