[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

C20H26Cl2N2O5S — CID 24818325

IUPAC[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCC1CCCCN1C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H26Cl2N2O5S/c1-14-5-2-3-10-24(14)18(25)13-29-20(26)15-8-11-23(12-9-15)30(27,28)19-16(21)6-4-7-17(19)22/h4,6-7,14-15H,2-3,5,8-13H2,1H3
InChIKeyAUBLOGHEGFHOGV-UHFFFAOYSA-N
MW477.41 g/mol
LogP3.34
Rot. Bonds5

About [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate

[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 24818325) has the molecular formula C20H26Cl2N2O5S and a molecular weight of 477.41 g/mol. Its IUPAC name is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
PubChem CID24818325
Molecular FormulaC20H26Cl2N2O5S
Molecular Weight477.41 g/mol
Exact Mass476.09
IUPAC Name[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
SMILESCC1CCCCN1C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1
InChIInChI=1S/C20H26Cl2N2O5S/c1-14-5-2-3-10-24(14)18(25)13-29-20(26)15-8-11-23(12-9-15)30(27,28)19-16(21)6-4-7-17(19)22/h4,6-7,14-15H,2-3,5,8-13H2,1H3
InChIKeyAUBLOGHEGFHOGV-UHFFFAOYSA-N
XLogP3.34
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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
[1-(2,5-Dichloro-benzenesulfonyl)-piperidin-4-yl]-morpholin-4-yl-methanone
CID 1078684
[1-(2,6-Dichlorophenyl)sulfonylpiperidin-4-yl]-(3,5-dimethylpiperidin-1-yl)methanone
CID 17533389
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
[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
Ethyl 1-({1-[(2,5-dichlorophenyl)sulfonyl]-4-piperidinyl}carbonyl)-4-piperidinecarboxylate
CID 2940327
1-(2,6-dichlorophenyl)sulfonyl-N-(3-morpholin-4-ylpropyl)piperidine-4-carboxamide
CID 24820061
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24980218
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CID 24980465
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate
CID 24982251

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate (CID 24818325) is [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is CC1CCCCN1C(=O)COC(=O)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1.
What is the InChIKey of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is AUBLOGHEGFHOGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26Cl2N2O5S/c1-14-5-2-3-10-24(14)18(25)13-29-20(26)15-8-11-23(12-9-15)30(27,28)19-16(21)6-4-7-17(19)22/h4,6-7,14-15H,2-3,5,8-13H2,1H3.
What are the key properties of [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate?
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 477.41 g/mol, XLogP of 3.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpiperidin-1-yl)-2-oxoethyl] 1-(2,6-dichlorophenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 24818325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).