ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate

C15H20FN3O3 — CID 110451817

IUPACethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(F)c2N)CC1
InChIInChI=1S/C15H20FN3O3/c1-2-22-15(21)19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3,(H,18,20)
InChIKeySDJOWUASVHZPJR-UHFFFAOYSA-N
MW309.34 g/mol
LogP1.76
Rot. Bonds3

About ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate

ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate (PubChem CID 110451817) has the molecular formula C15H20FN3O3 and a molecular weight of 309.34 g/mol. Its IUPAC name is ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
PubChem CID110451817
Molecular FormulaC15H20FN3O3
Molecular Weight309.34 g/mol
Exact Mass309.15
IUPAC Nameethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)c2cccc(F)c2N)CC1
InChIInChI=1S/C15H20FN3O3/c1-2-22-15(21)19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3,(H,18,20)
InChIKeySDJOWUASVHZPJR-UHFFFAOYSA-N
XLogP1.76
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate 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

butyl 4-[(2-fluorobenzoyl)amino]piperidine-1-carboxylate
CID 108559345
ethyl 4-[[2-(aminomethyl)benzoyl]amino]piperidine-1-carboxylate
CID 110451816
ethyl 4-[[2-(2,6-difluoroanilino)-2-oxoacetyl]amino]piperidine-1-carboxylate
CID 108522111
ethyl 4-[[2-(difluoromethylsulfanyl)benzoyl]amino]piperidine-1-carboxylate
CID 24644251
2-amino-N-cyclohexyl-3-fluorobenzamide
CID 55099758
ethyl 4-[[4-[(1-ethoxycarbonylpiperidin-4-yl)carbamoyl]benzoyl]amino]piperidine-1-carboxylate
CID 24644255
ethyl 4-benzamidopiperidine-1-carboxylate
CID 18120666
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
ethyl 4-[[2-(4-bromobenzoyl)benzoyl]amino]piperidine-1-carboxylate
CID 36884910
ethyl 4-[[2-[cyclopropanecarbonyl(methyl)amino]benzoyl]amino]piperidine-1-carboxylate
CID 46491359
ethyl 4-[[5-(2-fluorophenyl)furan-2-carbonyl]amino]piperidine-1-carboxylate
CID 18230812
ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate (CID 110451817) is ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)c2cccc(F)c2N)CC1.
What is the InChIKey of ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate?
The InChIKey is SDJOWUASVHZPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O3/c1-2-22-15(21)19-8-6-10(7-9-19)18-14(20)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3,(H,18,20).
What are the key properties of ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate?
ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate has a molecular weight of 309.34 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-amino-3-fluorobenzoyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 110451817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).