1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

C16H22N2O5S — CID 56893025

IUPAC1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(S(=O)(=O)C3CC3)CC2)c(C)n1
InChIInChI=1S/C16H22N2O5S/c1-11-3-6-14(12(2)17-11)23-16(15(19)20)7-9-18(10-8-16)24(21,22)13-4-5-13/h3,6,13H,4-5,7-10H2,1-2H3,(H,19,20)
InChIKeyPYRLKPRGUSGPLG-UHFFFAOYSA-N
MW354.43 g/mol
LogP1.49
Rot. Bonds5

About 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid

1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (PubChem CID 56893025) has the molecular formula C16H22N2O5S and a molecular weight of 354.43 g/mol. Its IUPAC name is 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
PubChem CID56893025
Molecular FormulaC16H22N2O5S
Molecular Weight354.43 g/mol
Exact Mass354.12
IUPAC Name1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
SMILESCc1ccc(OC2(C(=O)O)CCN(S(=O)(=O)C3CC3)CC2)c(C)n1
InChIInChI=1S/C16H22N2O5S/c1-11-3-6-14(12(2)17-11)23-16(15(19)20)7-9-18(10-8-16)24(21,22)13-4-5-13/h3,6,13H,4-5,7-10H2,1-2H3,(H,19,20)
InChIKeyPYRLKPRGUSGPLG-UHFFFAOYSA-N
XLogP1.49
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.43
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[(1S)-cyclopent-2-en-1-yl]acetyl]-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 95897711
1-ethylsulfonyl-4-[(2-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56891383
2-[(2,6-dimethyl-3-pyridinyl)oxy]acetic acid
CID 91618796
methyl 7-cyclopropylsulfonyl-2-methyl-5,6,8,9-tetrahydropyrido[2,3-d]azepine-3-carboxylate
CID 155874253
4-methyl-2-(4-piperidin-1-ylsulfonylpiperidin-1-yl)quinazoline
CID 146106523
4-(2-methylphenoxy)-1-(pyridine-4-carbonyl)piperidine-4-carboxylic acid
CID 56901351
1-cyclopropylsulfonyl-4-(6-methyl-2-pyridinyl)-1,4-diazepane
CID 163346171
1-cyclopropylsulfonyl-4-phenylazepan-4-ol
CID 58282889
1-(1,3-benzoxazol-2-yl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid
CID 56915489
4-(2-methylphenoxy)-1-(oxolane-2-carbonyl)piperidine-4-carboxylic acid
CID 56889702
[(3aS,5R,6R,7aR)-5-[(2,6-dimethyl-3-pyridinyl)oxy]-6-hydroxy-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-yl]-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanone
CID 172673893
2-cyclopropylsulfonyl-1,3-dihydroisoindole
CID 122244979

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The IUPAC name of 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid (CID 56893025) is 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The canonical SMILES for 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is Cc1ccc(OC2(C(=O)O)CCN(S(=O)(=O)C3CC3)CC2)c(C)n1.
What is the InChIKey of 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
The InChIKey is PYRLKPRGUSGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O5S/c1-11-3-6-14(12(2)17-11)23-16(15(19)20)7-9-18(10-8-16)24(21,22)13-4-5-13/h3,6,13H,4-5,7-10H2,1-2H3,(H,19,20).
What are the key properties of 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid?
1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid has a molecular weight of 354.43 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylsulfonyl-4-[(2,6-dimethyl-3-pyridinyl)oxy]piperidine-4-carboxylic acid is sourced from PubChem (CID 56893025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).