[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

C15H15Cl3N2O5 — CID 7649089

IUPAC[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C15H15Cl3N2O5/c1-24-14(22)8-2-4-20(5-3-8)10(21)7-25-15(23)13-12(18)11(17)9(16)6-19-13/h6,8H,2-5,7H2,1H3
InChIKeyGTEOIRXMJIAAHT-UHFFFAOYSA-N
MW409.65 g/mol
LogP2.61
Rot. Bonds4

About [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate

[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (PubChem CID 7649089) has the molecular formula C15H15Cl3N2O5 and a molecular weight of 409.65 g/mol. Its IUPAC name is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.

Molecular Properties

Compound Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
PubChem CID7649089
Molecular FormulaC15H15Cl3N2O5
Molecular Weight409.65 g/mol
Exact Mass408.00
IUPAC Name[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
SMILESCOC(=O)C1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)CC1
InChIInChI=1S/C15H15Cl3N2O5/c1-24-14(22)8-2-4-20(5-3-8)10(21)7-25-15(23)13-12(18)11(17)9(16)6-19-13/h6,8H,2-5,7H2,1H3
InChIKeyGTEOIRXMJIAAHT-UHFFFAOYSA-N
XLogP2.61
TPSA85.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.65
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate with MolForge

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Related Compounds

methyl 1-[2-(2-amino-3-chlorobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 17435665
[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate
CID 42117392
methyl 1-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]piperidine-4-carboxylate
CID 94870315
methyl 1-[2-(4-cyanobenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7716952
methyl 1-[2-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 41225686
methyl 1-[2-[(E)-3-(4-chlorophenyl)prop-2-enoyl]oxyacetyl]piperidine-4-carboxylate
CID 7867913
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 1,3-benzothiazole-6-carboxylate
CID 7276401
methyl 1-[2-(1-benzyltriazole-4-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 55640680
methyl 1-[2-(4-phenylmethoxybenzoyl)oxyacetyl]piperidine-4-carboxylate
CID 7264067
methyl 1-[2-(4-acetyl-1H-pyrrole-2-carbonyl)oxyacetyl]piperidine-4-carboxylate
CID 9385700
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 2-phenylsulfanylpyridine-3-carboxylate
CID 30432280
methyl 1-[2-(1-benzofuran-2-carbonyloxy)acetyl]piperidine-4-carboxylate
CID 7193669

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The IUPAC name of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate (CID 7649089) is [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate.
What is the SMILES notation for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The canonical SMILES for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is COC(=O)C1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)CC1.
What is the InChIKey of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
The InChIKey is GTEOIRXMJIAAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl3N2O5/c1-24-14(22)8-2-4-20(5-3-8)10(21)7-25-15(23)13-12(18)11(17)9(16)6-19-13/h6,8H,2-5,7H2,1H3.
What are the key properties of [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate?
[2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate has a molecular weight of 409.65 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxycarbonylpiperidin-1-yl)-2-oxoethyl] 3,4,5-trichloropyridine-2-carboxylate is sourced from PubChem (CID 7649089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).