1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid

C14H18N2O6S — CID 122070316

IUPAC1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)cnc1C
InChIInChI=1S/C14H18N2O6S/c1-9-12(14(19)22-2)6-11(7-15-9)23(20,21)16-5-3-4-10(8-16)13(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWJSYTXXZJSNOHF-UHFFFAOYSA-N
MW342.37 g/mol
LogP0.66
Rot. Bonds4

About 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid

1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid (PubChem CID 122070316) has the molecular formula C14H18N2O6S and a molecular weight of 342.37 g/mol. Its IUPAC name is 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid
PubChem CID122070316
Molecular FormulaC14H18N2O6S
Molecular Weight342.37 g/mol
Exact Mass342.09
IUPAC Name1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid
SMILESCOC(=O)c1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)cnc1C
InChIInChI=1S/C14H18N2O6S/c1-9-12(14(19)22-2)6-11(7-15-9)23(20,21)16-5-3-4-10(8-16)13(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18)
InChIKeyWJSYTXXZJSNOHF-UHFFFAOYSA-N
XLogP0.66
TPSA113.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-methoxy-4-methoxycarbonylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 120681723
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
methyl 2-methyl-5-[3-(methylamino)piperidin-1-yl]sulfonylbenzoate
CID 120715034
(3R)-1-[3-(methoxymethyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 136580990
methyl (3S)-1-[(5-fluoro-3-pyridinyl)sulfonyl]piperidine-3-carboxylate
CID 79032886
1-[3-methyl-4-(methylsulfamoyl)phenyl]sulfonylpiperidine-3-carboxylic acid
CID 120660318
(3R)-1-(3-fluoro-4-methoxyphenyl)sulfonylpiperidine-3-carboxylic acid
CID 81127690
(3S)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 79001470
methyl 5-(3-aminopiperidin-1-yl)sulfonyl-2-methylbenzoate;hydrochloride
CID 119959935
(3S)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7026133
(3R)-1-(1,3-dimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxylic acid
CID 7017717
1-(4-sulfamoylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 23607546

Frequently Asked Questions

What is the IUPAC name of 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid (CID 122070316) is 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid is COC(=O)c1cc(S(=O)(=O)N2CCCC(C(=O)O)C2)cnc1C.
What is the InChIKey of 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid?
The InChIKey is WJSYTXXZJSNOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O6S/c1-9-12(14(19)22-2)6-11(7-15-9)23(20,21)16-5-3-4-10(8-16)13(17)18/h6-7,10H,3-5,8H2,1-2H3,(H,17,18).
What are the key properties of 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid?
1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid has a molecular weight of 342.37 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methoxycarbonyl-6-methyl-3-pyridinyl)sulfonyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122070316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).