1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid

C15H19NO7S — CID 120681723

IUPAC1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1OC
InChIInChI=1S/C15H19NO7S/c1-22-13-8-11(5-6-12(13)15(19)23-2)24(20,21)16-7-3-4-10(9-16)14(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyWZKVYVCBMQVGDD-UHFFFAOYSA-N
MW357.38 g/mol
LogP0.97
Rot. Bonds5

About 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid

1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid (PubChem CID 120681723) has the molecular formula C15H19NO7S and a molecular weight of 357.38 g/mol. Its IUPAC name is 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
PubChem CID120681723
Molecular FormulaC15H19NO7S
Molecular Weight357.38 g/mol
Exact Mass357.09
IUPAC Name1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
SMILESCOC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1OC
InChIInChI=1S/C15H19NO7S/c1-22-13-8-11(5-6-12(13)15(19)23-2)24(20,21)16-7-3-4-10(9-16)14(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18)
InChIKeyWZKVYVCBMQVGDD-UHFFFAOYSA-N
XLogP0.97
TPSA110.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833
methyl 2-[[1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 4279924
1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490713
methyl 2-methoxy-4-[4-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120710099
1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid
CID 122070316
N-cyclopropyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 6457392
[(3R)-1-(3,4-dimethoxyphenyl)sulfonylpiperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 7258408
(3S)-N-tert-butyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-3-carboxamide
CID 7453401
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxyethyl)piperidine-3-carboxamide
CID 6490717
methyl 2-[[(3R)-1-(3-chloro-4-methoxyphenyl)sulfonylpiperidine-3-carbonyl]amino]benzoate
CID 41302720
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid?
The IUPAC name of 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid (CID 120681723) is 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid is COC(=O)c1ccc(S(=O)(=O)N2CCCC(C(=O)O)C2)cc1OC.
What is the InChIKey of 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid?
The InChIKey is WZKVYVCBMQVGDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO7S/c1-22-13-8-11(5-6-12(13)15(19)23-2)24(20,21)16-7-3-4-10(9-16)14(17)18/h5-6,8,10H,3-4,7,9H2,1-2H3,(H,17,18).
What are the key properties of 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid?
1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid has a molecular weight of 357.38 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid is sourced from PubChem (CID 120681723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).