4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid

C19H22N2O6S — CID 18333793

IUPAC4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESCc1ncccc1COc1ccc(S(=O)(=O)N2CCC(O)CC2C(=O)O)cc1
InChIInChI=1S/C19H22N2O6S/c1-13-14(3-2-9-20-13)12-27-16-4-6-17(7-5-16)28(25,26)21-10-8-15(22)11-18(21)19(23)24/h2-7,9,15,18,22H,8,10-12H2,1H3,(H,23,24)
InChIKeyVOZVTLLBCIUNCD-UHFFFAOYSA-N
MW406.46 g/mol
LogP1.57
Rot. Bonds6

About 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid

4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid (PubChem CID 18333793) has the molecular formula C19H22N2O6S and a molecular weight of 406.46 g/mol. Its IUPAC name is 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
PubChem CID18333793
Molecular FormulaC19H22N2O6S
Molecular Weight406.46 g/mol
Exact Mass406.12
IUPAC Name4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid
SMILESCc1ncccc1COc1ccc(S(=O)(=O)N2CCC(O)CC2C(=O)O)cc1
InChIInChI=1S/C19H22N2O6S/c1-13-14(3-2-9-20-13)12-27-16-4-6-17(7-5-16)28(25,26)21-10-8-15(22)11-18(21)19(23)24/h2-7,9,15,18,22H,8,10-12H2,1H3,(H,23,24)
InChIKeyVOZVTLLBCIUNCD-UHFFFAOYSA-N
XLogP1.57
TPSA117.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The IUPAC name of 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid (CID 18333793) is 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid.
What is the SMILES notation for 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The canonical SMILES for 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid is Cc1ncccc1COc1ccc(S(=O)(=O)N2CCC(O)CC2C(=O)O)cc1.
What is the InChIKey of 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
The InChIKey is VOZVTLLBCIUNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O6S/c1-13-14(3-2-9-20-13)12-27-16-4-6-17(7-5-16)28(25,26)21-10-8-15(22)11-18(21)19(23)24/h2-7,9,15,18,22H,8,10-12H2,1H3,(H,23,24).
What are the key properties of 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid?
4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid has a molecular weight of 406.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-[4-[(2-methyl-3-pyridinyl)methoxy]phenyl]sulfonylpiperidine-2-carboxylic acid is sourced from PubChem (CID 18333793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).