N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide

C14H19FN4O2 — CID 63602687

IUPACN-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCC1C(=O)NCCN1CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H19FN4O2/c1-2-12-14(21)17-5-6-19(12)8-13(20)18-11-7-9(15)3-4-10(11)16/h3-4,7,12H,2,5-6,8,16H2,1H3,(H,17,21)(H,18,20)
InChIKeySLQWCAXQMVDKTH-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.56
Rot. Bonds4

About N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide

N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide (PubChem CID 63602687) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
PubChem CID63602687
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC NameN-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
SMILESCCC1C(=O)NCCN1CC(=O)Nc1cc(F)ccc1N
InChIInChI=1S/C14H19FN4O2/c1-2-12-14(21)17-5-6-19(12)8-13(20)18-11-7-9(15)3-4-10(11)16/h3-4,7,12H,2,5-6,8,16H2,1H3,(H,17,21)(H,18,20)
InChIKeySLQWCAXQMVDKTH-UHFFFAOYSA-N
XLogP0.56
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.33
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-aminophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide
CID 63602156
N-(2-amino-5-fluorophenyl)-2-(3-ethylmorpholin-4-yl)acetamide
CID 43612167
propyl 2-[1-[2-(4-fluoroanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54819756
N-(2-amino-4-methylphenyl)-2-(2-methyl-3-oxopiperazin-1-yl)acetamide
CID 63596286
N-(2-amino-5-fluorophenyl)-2-(3,5-diethylpyrazol-1-yl)acetamide
CID 82695813
butyl 2-[1-[2-(2-butoxyanilino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 54822936
2-(2-ethyl-3-oxopiperazin-1-yl)acetic acid
CID 63600273
3-ethyl-4-(2-oxopropyl)piperazin-2-one
CID 63600634
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
N-(2-amino-5-fluorophenyl)-2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]acetamide
CID 104967022
2-[(2-ethyl-3-oxopiperazin-1-yl)methyl]-5-fluorobenzenecarbothioamide
CID 63602887
N-(2-amino-5-fluorophenyl)-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]acetamide
CID 62467691

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The IUPAC name of N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide (CID 63602687) is N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide is CCC1C(=O)NCCN1CC(=O)Nc1cc(F)ccc1N.
What is the InChIKey of N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
The InChIKey is SLQWCAXQMVDKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c1-2-12-14(21)17-5-6-19(12)8-13(20)18-11-7-9(15)3-4-10(11)16/h3-4,7,12H,2,5-6,8,16H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide?
N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide has a molecular weight of 294.33 g/mol, XLogP of 0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-5-fluorophenyl)-2-(2-ethyl-3-oxopiperazin-1-yl)acetamide is sourced from PubChem (CID 63602687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).