ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate

C19H28N2O6S — CID 42851195

IUPACethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)C2CON(C)C2c2ccc(OC)cc2)C1
InChIInChI=1S/C19H28N2O6S/c1-4-26-19(22)15-6-5-11-21(12-15)28(23,24)17-13-27-20(2)18(17)14-7-9-16(25-3)10-8-14/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyRQNMDDPIWXCRQO-UHFFFAOYSA-N
MW412.51 g/mol
LogP1.59
Rot. Bonds6

About ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate

ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate (PubChem CID 42851195) has the molecular formula C19H28N2O6S and a molecular weight of 412.51 g/mol. Its IUPAC name is ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate
PubChem CID42851195
Molecular FormulaC19H28N2O6S
Molecular Weight412.51 g/mol
Exact Mass412.17
IUPAC Nameethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(S(=O)(=O)C2CON(C)C2c2ccc(OC)cc2)C1
InChIInChI=1S/C19H28N2O6S/c1-4-26-19(22)15-6-5-11-21(12-15)28(23,24)17-13-27-20(2)18(17)14-7-9-16(25-3)10-8-14/h7-10,15,17-18H,4-6,11-13H2,1-3H3
InChIKeyRQNMDDPIWXCRQO-UHFFFAOYSA-N
XLogP1.59
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.51
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 1-[[3-(3-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-4-carboxylate
CID 42851312
ethyl (3S)-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 2205762
ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
[2-(carbamoylamino)-2-oxoethyl] 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 46659229
methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate
CID 78913202
ethyl (3R)-1-pyrrolidin-1-ylsulfonylpiperidine-3-carboxylate
CID 81318780
ethyl (3S)-1-[4-[4-[(3S)-3-ethoxycarbonylpiperidin-1-yl]sulfonylphenyl]phenyl]sulfonylpiperidine-3-carboxylate
CID 98207041
ethyl (3R)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884372
ethyl (3S)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate
CID 884371
ethyl 1-(phenylsulfamoyl)piperidine-3-carboxylate
CID 64591199
ethyl (3R)-1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylate
CID 2198274
ethyl 1-(2-hydroxyethylsulfamoyl)piperidine-3-carboxylate
CID 43502024

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate (CID 42851195) is ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(S(=O)(=O)C2CON(C)C2c2ccc(OC)cc2)C1.
What is the InChIKey of ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate?
The InChIKey is RQNMDDPIWXCRQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O6S/c1-4-26-19(22)15-6-5-11-21(12-15)28(23,24)17-13-27-20(2)18(17)14-7-9-16(25-3)10-8-14/h7-10,15,17-18H,4-6,11-13H2,1-3H3.
What are the key properties of ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate?
ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate has a molecular weight of 412.51 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[3-(4-methoxyphenyl)-2-methyl-1,2-oxazolidin-4-yl]sulfonyl]piperidine-3-carboxylate is sourced from PubChem (CID 42851195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).