1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

C14H19FN4O2 — CID 16792068

IUPAC1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C14H19FN4O2/c15-10-1-2-12(11(16)7-10)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeyREONWOPEFXYGHL-UHFFFAOYSA-N
MW294.33 g/mol
LogP0.54
Rot. Bonds4

About 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide

1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 16792068) has the molecular formula C14H19FN4O2 and a molecular weight of 294.33 g/mol. Its IUPAC name is 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
PubChem CID16792068
Molecular FormulaC14H19FN4O2
Molecular Weight294.33 g/mol
Exact Mass294.15
IUPAC Name1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2N)CC1
InChIInChI=1S/C14H19FN4O2/c15-10-1-2-12(11(16)7-10)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8,16H2,(H2,17,21)(H,18,20)
InChIKeyREONWOPEFXYGHL-UHFFFAOYSA-N
XLogP0.54
TPSA101.45 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 ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide 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

1-[2-(2-fluoro-4-methylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531194
N-(2-amino-4-fluorophenyl)-2-(4-methylpiperazin-1-yl)acetamide
CID 16779735
(3S)-1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-3-carboxamide
CID 9305453
ethyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818400
2-[4-(azepane-1-carbonyl)piperidin-1-yl]-N-(2,4-difluorophenyl)acetamide
CID 17490744
N-(2-amino-5-fluorophenyl)-2-(4-cyclopropylpiperazin-1-yl)acetamide
CID 61440078
1-[2-(2,4-dimethoxyanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 8531166
N-(2,4-difluorophenyl)-2-(4-methoxypiperidin-1-yl)acetamide
CID 47131519
methyl 1-[2-(2,4-difluoroanilino)-2-oxoethyl]pyrrolidine-3-carboxylate
CID 112731416
2-(4-benzoylpiperidin-1-yl)-N-(2,5-difluorophenyl)acetamide
CID 16605881
N-(2-chloro-4-methylphenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55841846
N-(2-bromophenyl)-2-[4-(2,5-difluorobenzoyl)piperidin-1-yl]acetamide
CID 55842103

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide (CID 16792068) is 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide is NC(=O)C1CCN(CC(=O)Nc2ccc(F)cc2N)CC1.
What is the InChIKey of 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is REONWOPEFXYGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O2/c15-10-1-2-12(11(16)7-10)18-13(20)8-19-5-3-9(4-6-19)14(17)21/h1-2,7,9H,3-6,8,16H2,(H2,17,21)(H,18,20).
What are the key properties of 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide?
1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 294.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-amino-4-fluoroanilino)-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 16792068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).