methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

C15H19NO6S — CID 7961507

IUPACmethyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H19NO6S/c1-21-14(17)11-7-9-16(10-8-11)23(19,20)13-6-4-3-5-12(13)15(18)22-2/h3-6,11H,7-10H2,1-2H3
InChIKeyFFQCXJYFMGOTMJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.05
Rot. Bonds4

About methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (PubChem CID 7961507) has the molecular formula C15H19NO6S and a molecular weight of 341.38 g/mol. Its IUPAC name is methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
PubChem CID7961507
Molecular FormulaC15H19NO6S
Molecular Weight341.38 g/mol
Exact Mass341.09
IUPAC Namemethyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
SMILESCOC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OC)CC1
InChIInChI=1S/C15H19NO6S/c1-21-14(17)11-7-9-16(10-8-11)23(19,20)13-6-4-3-5-12(13)15(18)22-2/h3-6,11H,7-10H2,1-2H3
InChIKeyFFQCXJYFMGOTMJ-UHFFFAOYSA-N
XLogP1.05
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-oxopropyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 7483565
(4-methoxycarbonylphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 30279484
methyl 2-[4-(propylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 42990230
methyl 2-(4-phenylmethoxypiperidin-1-yl)sulfonylbenzoate
CID 51278510
methyl 2-(3-methylpyrrolidin-1-yl)sulfonylbenzoate
CID 113229712
methyl 2-[4-(4-methylidenepiperidine-1-carbonyl)piperidin-1-yl]sulfonylbenzoate
CID 56538333
[1-(4-acetamidoanilino)-1-oxopropan-2-yl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 24818350
methyl 2-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 47104022
methyl 2-[4-[(2-fluorophenyl)carbamoyl]piperidin-1-yl]sulfonylbenzoate
CID 8780417
[(2S)-1-[benzyl(methyl)amino]-1-oxopropan-2-yl] 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate
CID 39965209
methyl 2-[4-(hexylcarbamoyl)piperidin-1-yl]sulfonylbenzoate
CID 43007840
methyl 2-(3,9-diazabicyclo[4.2.1]nonan-3-ylsulfonyl)benzoate
CID 119989607

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate (CID 7961507) is methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)OC)CC1.
What is the InChIKey of methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
The InChIKey is FFQCXJYFMGOTMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6S/c1-21-14(17)11-7-9-16(10-8-11)23(19,20)13-6-4-3-5-12(13)15(18)22-2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate?
methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate has a molecular weight of 341.38 g/mol, XLogP of 1.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate is sourced from PubChem (CID 7961507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).