ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate

C19H23Cl2NO3 — CID 140528510

IUPACethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H23Cl2NO3/c1-2-25-19(24)15-7-10-22(11-8-15)12-9-17(23)6-4-14-3-5-16(20)13-18(14)21/h3-6,13,15H,2,7-12H2,1H3/b6-4+
InChIKeyDFPIOGMYXRVJAD-GQCTYLIASA-N
MW384.30 g/mol
LogP4.24
Rot. Bonds7

About ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate

ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate (PubChem CID 140528510) has the molecular formula C19H23Cl2NO3 and a molecular weight of 384.30 g/mol. Its IUPAC name is ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate
PubChem CID140528510
Molecular FormulaC19H23Cl2NO3
Molecular Weight384.30 g/mol
Exact Mass383.11
IUPAC Nameethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(CCC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H23Cl2NO3/c1-2-25-19(24)15-7-10-22(11-8-15)12-9-17(23)6-4-14-3-5-16(20)13-18(14)21/h3-6,13,15H,2,7-12H2,1H3/b6-4+
InChIKeyDFPIOGMYXRVJAD-GQCTYLIASA-N
XLogP4.24
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.30
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]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-[(E)-5-(4-hydroxyphenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate;hydrochloride
CID 140528482
ethyl 1-[(E)-5-(4-chlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate;naphthalene-2-sulfonic acid
CID 51355643
ethyl 1-[5-(4-chlorophenyl)-3-oxopent-4-enyl]piperidine-3-carboxylate;hydrochloride
CID 69247827
ethyl 1-[3-(4-chloroanilino)-3-oxopropyl]piperidine-4-carboxylate
CID 740109
ethyl 1-[2-(4-chloro-2-methylphenoxy)ethyl]piperidine-4-carboxylate
CID 6458009
ethyl 1-[2-(2,4-dichloroanilino)-2-oxoethyl]piperidine-4-carboxylate
CID 4818406
(E)-3-(2,4-dichlorophenyl)-N-(1-propylpiperidin-4-yl)prop-2-enamide
CID 9264474
ethyl 1-[2-(4-chlorophenoxy)ethyl]piperidine-4-carboxylate
CID 27186861
ethyl 1-[(5E)-5-[(2,4-dichlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl]piperidine-4-carboxylate
CID 5350981
1-(2,4-dichlorophenyl)pent-1-en-3-one
CID 142778018
ethyl 1-[2-[1-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperidine-4-carboxylate
CID 51170749
ethyl 1-[(3-chlorophenyl)methyl]piperidine-4-carboxylate
CID 764602

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate (CID 140528510) is ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(CCC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate?
The InChIKey is DFPIOGMYXRVJAD-GQCTYLIASA-N. The full InChI is InChI=1S/C19H23Cl2NO3/c1-2-25-19(24)15-7-10-22(11-8-15)12-9-17(23)6-4-14-3-5-16(20)13-18(14)21/h3-6,13,15H,2,7-12H2,1H3/b6-4+.
What are the key properties of ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate?
ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate has a molecular weight of 384.30 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(E)-5-(2,4-dichlorophenyl)-3-oxopent-4-enyl]piperidine-4-carboxylate is sourced from PubChem (CID 140528510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).