ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate

C18H23Cl2N3O5 — CID 3586472

IUPACethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O5/c1-2-28-18(26)23-8-6-12(7-9-23)21-15(24)10-27-11-16(25)22-14-5-3-4-13(19)17(14)20/h3-5,12H,2,6-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyIYDJEGCLMGNJSK-UHFFFAOYSA-N
MW432.30 g/mol
LogP2.69
Rot. Bonds7

About ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate

ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate (PubChem CID 3586472) has the molecular formula C18H23Cl2N3O5 and a molecular weight of 432.30 g/mol. Its IUPAC name is ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate
PubChem CID3586472
Molecular FormulaC18H23Cl2N3O5
Molecular Weight432.30 g/mol
Exact Mass431.10
IUPAC Nameethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CC1
InChIInChI=1S/C18H23Cl2N3O5/c1-2-28-18(26)23-8-6-12(7-9-23)21-15(24)10-27-11-16(25)22-14-5-3-4-13(19)17(14)20/h3-5,12H,2,6-11H2,1H3,(H,21,24)(H,22,25)
InChIKeyIYDJEGCLMGNJSK-UHFFFAOYSA-N
XLogP2.69
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.30
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate with MolForge

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Related Compounds

N-cyclohexyl-2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetamide
CID 5116287
ethyl 4-[(2-chlorophenyl)carbamothioylamino]piperidine-1-carboxylate
CID 3869393
ethyl 4-[3-(2,3-dichloroanilino)-3-oxopropyl]piperazine-1-carboxylate
CID 109029198
N-(2,3-dichlorophenyl)-2-(2-oxo-2-piperidin-1-ylethoxy)acetamide
CID 4002670
ethyl 4-[[3-(2-chloroanilino)-3-oxopropyl]amino]piperidine-1-carboxylate
CID 109028946
ethyl 4-[(2-chloro-6-fluorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 108896619
N-(1-acetylpiperidin-4-yl)-2-(2,3-dichloroanilino)acetamide
CID 86910665
ethyl 4-[[2-(N-acetyl-2-chloroanilino)acetyl]amino]piperidine-1-carboxylate
CID 113171159
ethyl 4-[[2-(3-ethoxyphenoxy)acetyl]amino]piperidine-1-carboxylate
CID 112977740
(2-chlorophenyl)methyl-[2-[(1-ethoxycarbonylpiperidin-4-yl)amino]-2-oxoethyl]-methylazanium
CID 8542384
ethyl 4-[(3-chlorophenyl)carbamoylamino]piperidine-1-carboxylate
CID 17423931
2-(cyclopropylmethylamino)-N-(2,3-dichlorophenyl)acetamide
CID 60843168

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate (CID 3586472) is ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)CC1.
What is the InChIKey of ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate?
The InChIKey is IYDJEGCLMGNJSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23Cl2N3O5/c1-2-28-18(26)23-8-6-12(7-9-23)21-15(24)10-27-11-16(25)22-14-5-3-4-13(19)17(14)20/h3-5,12H,2,6-11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate?
ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate has a molecular weight of 432.30 g/mol, XLogP of 2.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-(2,3-dichloroanilino)-2-oxoethoxy]acetyl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 3586472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).