ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate

C15H18N2O4 — CID 112729067

IUPACethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C15H18N2O4/c1-2-21-15(20)11-5-3-4-6-12(11)17-14(19)10-7-8-13(18)16-9-10/h3-6,10H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyDGJUWUIHWZZFHZ-UHFFFAOYSA-N
MW290.32 g/mol
LogP1.33
Rot. Bonds4

About ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate

ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate (PubChem CID 112729067) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
PubChem CID112729067
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Nameethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)C1CCC(=O)NC1
InChIInChI=1S/C15H18N2O4/c1-2-21-15(20)11-5-3-4-6-12(11)17-14(19)10-7-8-13(18)16-9-10/h3-6,10H,2,7-9H2,1H3,(H,16,18)(H,17,19)
InChIKeyDGJUWUIHWZZFHZ-UHFFFAOYSA-N
XLogP1.33
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate 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

ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]thiophene-3-carboxylate
CID 112729095
ethyl 2-(oxane-4-carbonylamino)benzoate
CID 30790941
N-(2-iodophenyl)-6-oxopiperidine-3-carboxamide
CID 78281148
N-(2-tert-butylphenyl)-6-oxopiperidine-3-carboxamide
CID 76871965
tert-butyl 4-[(2-ethoxycarbonylphenyl)carbamoyl]piperidine-1-carboxylate
CID 110428314
ethyl 2-[[(3R)-5-oxo-1-phenylpyrrolidine-3-carbonyl]amino]benzoate
CID 1251465
ethyl 2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoate
CID 63714826
ethyl 2-[[1-(2-phenylacetyl)piperidine-4-carbonyl]amino]benzoate
CID 113008679
N-(4-hydroxy-2-methylphenyl)-6-oxopiperidine-3-carboxamide
CID 79040523
3-[2-[(6-oxopiperidine-3-carbonyl)amino]phenyl]propanoic acid
CID 107272548
ethyl 2-[[(2R)-piperidine-2-carbonyl]amino]benzoate
CID 104913687
ethyl 2-[(1-butyl-5-oxopyrrolidine-3-carbonyl)amino]benzoate
CID 17082543

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The IUPAC name of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate (CID 112729067) is ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate.
What is the SMILES notation for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The canonical SMILES for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate is CCOC(=O)c1ccccc1NC(=O)C1CCC(=O)NC1.
What is the InChIKey of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
The InChIKey is DGJUWUIHWZZFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-2-21-15(20)11-5-3-4-6-12(11)17-14(19)10-7-8-13(18)16-9-10/h3-6,10H,2,7-9H2,1H3,(H,16,18)(H,17,19).
What are the key properties of ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate?
ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate has a molecular weight of 290.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-oxopiperidine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 112729067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).