1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C14H20N2O5S — CID 56891383

IUPAC1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(Oc2cccnc2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S/c1-3-22(19,20)16-9-6-14(7-10-16,13(17)18)21-12-5-4-8-15-11(12)2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyPYXSUWCSEURFQZ-UHFFFAOYSA-N
MW328.39 g/mol
LogP1.04
Rot. Bonds5

About 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56891383) has the molecular formula C14H20N2O5S and a molecular weight of 328.39 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56891383
Molecular FormulaC14H20N2O5S
Molecular Weight328.39 g/mol
Exact Mass328.11
IUPAC Name1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCCS(=O)(=O)N1CCC(Oc2cccnc2C)(C(=O)O)CC1
InChIInChI=1S/C14H20N2O5S/c1-3-22(19,20)16-9-6-14(7-10-16,13(17)18)21-12-5-4-8-15-11(12)2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18)
InChIKeyPYXSUWCSEURFQZ-UHFFFAOYSA-N
XLogP1.04
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56891383) is 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is CCS(=O)(=O)N1CCC(Oc2cccnc2C)(C(=O)O)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is PYXSUWCSEURFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O5S/c1-3-22(19,20)16-9-6-14(7-10-16,13(17)18)21-12-5-4-8-15-11(12)2/h4-5,8H,3,6-7,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 328.39 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56891383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).