ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate

C17H21Cl2NO4 — CID 2940056

IUPACethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H21Cl2NO4/c1-3-23-17(22)12-5-4-8-20(10-12)16(21)11(2)24-15-7-6-13(18)9-14(15)19/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeyJBUZAERNBFPAPW-UHFFFAOYSA-N
MW374.26 g/mol
LogP3.56
Rot. Bonds5

About ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate

ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate (PubChem CID 2940056) has the molecular formula C17H21Cl2NO4 and a molecular weight of 374.26 g/mol. Its IUPAC name is ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
PubChem CID2940056
Molecular FormulaC17H21Cl2NO4
Molecular Weight374.26 g/mol
Exact Mass373.08
IUPAC Nameethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1
InChIInChI=1S/C17H21Cl2NO4/c1-3-23-17(22)12-5-4-8-20(10-12)16(21)11(2)24-15-7-6-13(18)9-14(15)19/h6-7,9,11-12H,3-5,8,10H2,1-2H3
InChIKeyJBUZAERNBFPAPW-UHFFFAOYSA-N
XLogP3.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate (CID 2940056) is ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)C(C)Oc2ccc(Cl)cc2Cl)C1.
What is the InChIKey of ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
The InChIKey is JBUZAERNBFPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21Cl2NO4/c1-3-23-17(22)12-5-4-8-20(10-12)16(21)11(2)24-15-7-6-13(18)9-14(15)19/h6-7,9,11-12H,3-5,8,10H2,1-2H3.
What are the key properties of ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate?
ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate has a molecular weight of 374.26 g/mol, XLogP of 3.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(2,4-dichlorophenoxy)propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 2940056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).