ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate

C15H19ClN2O3 — CID 115540184

IUPACethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3
InChIKeyZBDXONKUOVLCLZ-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.34
Rot. Bonds3

About ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate

ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate (PubChem CID 115540184) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
PubChem CID115540184
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Nameethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2N)CC1
InChIInChI=1S/C15H19ClN2O3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3
InChIKeyZBDXONKUOVLCLZ-UHFFFAOYSA-N
XLogP2.34
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-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

ethyl 1-(2-amino-3-fluorobenzoyl)piperidine-4-carboxylate
CID 80503441
ethyl 1-(2-chloro-5-hydroxybenzoyl)piperidine-4-carboxylate
CID 106501349
ethyl 1-[2-[(2-chlorophenyl)methoxy]benzoyl]piperidine-4-carboxylate
CID 27555052
methyl 1-(2-amino-3-methylbenzoyl)piperidine-4-carboxylate
CID 60682146
ethyl 1-[2-fluoro-3-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730817
(2-amino-3-chlorophenyl)-(3-ethoxypiperidin-1-yl)methanone
CID 115540541
ethyl 1-(2,4-diaminobenzoyl)piperidine-4-carboxylate
CID 61116886
ethyl (3R)-1-(3-chloro-2-methylbenzoyl)piperidine-3-carboxylate
CID 107098532
ethyl 1-(2-bromo-5-chlorobenzoyl)piperidine-4-carboxylate
CID 78849118
hexyl 1-(2-chlorobenzoyl)piperidine-4-carboxylate
CID 91734475
ethyl 1-(2,4,5-trimethylbenzoyl)piperidine-4-carboxylate
CID 95970660
methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate (CID 115540184) is ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2cccc(Cl)c2N)CC1.
What is the InChIKey of ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate?
The InChIKey is ZBDXONKUOVLCLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-2-21-15(20)10-6-8-18(9-7-10)14(19)11-4-3-5-12(16)13(11)17/h3-5,10H,2,6-9,17H2,1H3.
What are the key properties of ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate?
ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate has a molecular weight of 310.78 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-amino-3-chlorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 115540184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).