[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C18H20Cl2N2O6S — CID 24816790

IUPAC[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O6S/c19-13-3-1-4-14(20)17(13)29(26,27)21-9-6-12(7-10-21)18(25)28-11-16(24)22-8-2-5-15(22)23/h1,3-4,12H,2,5-11H2
InChIKeyHTLVIKLILQPIHI-UHFFFAOYSA-N
MW463.34 g/mol
LogP2.09
Rot. Bonds5

About [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24816790) has the molecular formula C18H20Cl2N2O6S and a molecular weight of 463.34 g/mol. Its IUPAC name is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24816790
Molecular FormulaC18H20Cl2N2O6S
Molecular Weight463.34 g/mol
Exact Mass462.04
IUPAC Name[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESO=C(OCC(=O)N1CCCC1=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C18H20Cl2N2O6S/c19-13-3-1-4-14(20)17(13)29(26,27)21-9-6-12(7-10-21)18(25)28-11-16(24)22-8-2-5-15(22)23/h1,3-4,12H,2,5-11H2
InChIKeyHTLVIKLILQPIHI-UHFFFAOYSA-N
XLogP2.09
TPSA101.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.34
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-((1,1-Dioxidotetrahydrothiophen-3-yl)(methyl)amino)-2-oxoethyl 1-((4-chlorophenyl)sulfonyl)piperidine-4-carboxylate
CID 4846506
Ethyl 4-[2-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]oxyacetyl]piperazine-1-carboxylate
CID 24980656
[2-(3-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24981796
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-pyrrolidin-1-ylmethanone
CID 4788666
[2-(2,6-Dimethylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24979349
[2-(4-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 25162421
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24818325
(2-Oxooxolan-3-yl) 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24979855
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24980218
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24982251
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24818144
Methyl 1-[2-[1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carbonyl]oxyacetyl]piperidine-4-carboxylate
CID 24981865

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 24816790) is [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is O=C(OCC(=O)N1CCCC1=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is HTLVIKLILQPIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20Cl2N2O6S/c19-13-3-1-4-14(20)17(13)29(26,27)21-9-6-12(7-10-21)18(25)28-11-16(24)22-8-2-5-15(22)23/h1,3-4,12H,2,5-11H2.
What are the key properties of [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 463.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2-oxopyrrolidin-1-yl)ethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24816790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).