4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid

C20H24N2O5S — CID 91186698

IUPAC4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
SMILESC[C@H](Oc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C20H24N2O5S/c1-14(15-9-11-22(12-10-15)20(23)24)27-17-5-8-19(21-13-17)16-3-6-18(7-4-16)28(2,25)26/h3-8,13-15H,9-12H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyPGTQCTKFRPZSGF-AWEZNQCLSA-N
MW404.49 g/mol
LogP3.31
Rot. Bonds5

About 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid

4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid (PubChem CID 91186698) has the molecular formula C20H24N2O5S and a molecular weight of 404.49 g/mol. Its IUPAC name is 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
PubChem CID91186698
Molecular FormulaC20H24N2O5S
Molecular Weight404.49 g/mol
Exact Mass404.14
IUPAC Name4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid
SMILESC[C@H](Oc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1)C1CCN(C(=O)O)CC1
InChIInChI=1S/C20H24N2O5S/c1-14(15-9-11-22(12-10-15)20(23)24)27-17-5-8-19(21-13-17)16-3-6-18(7-4-16)28(2,25)26/h3-8,13-15H,9-12H2,1-2H3,(H,23,24)/t14-/m0/s1
InChIKeyPGTQCTKFRPZSGF-AWEZNQCLSA-N
XLogP3.31
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.49
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-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

propan-2-yl 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylate
CID 59177825
propan-2-yl 4-[(1R)-1-[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxyethyl]piperidine-1-carboxylate
CID 59177827
5-[4-[1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 59177801
propan-2-yl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985275
N'-hydroxy-4-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxymethyl]piperidine-1-carboximidamide
CID 87100228
4-[(3R)-3-(4-methylsulfonylphenoxy)butyl]piperidine-1-carboxylic acid
CID 67183247
4-[1-[4-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)phenoxy]ethyl]piperidine-1-carboxylic acid
CID 141285206
propan-2-yl 4-[[5-(4-methylsulfonylphenyl)pyrazin-2-yl]oxymethyl]piperidine-1-carboxylate
CID 24993713
tert-butyl 4-[1-[[5-(4-methylsulfonylphenyl)-[1,3]thiazolo[5,4-b]pyridin-2-yl]oxy]ethyl]piperidine-1-carboxylate
CID 131985319
4-[1-(4-methylphenyl)sulfonyloxyethyl]piperidine-1-carboxylic acid
CID 175969153
furan-2-yl-[4-[2-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidin-1-yl]methanone
CID 142782103
4-[[[5-(4-methylsulfonylphenyl)-2-pyridinyl]amino]methyl]piperidine-1-carboxylic acid
CID 68862512

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid (CID 91186698) is 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid is C[C@H](Oc1ccc(-c2ccc(S(C)(=O)=O)cc2)nc1)C1CCN(C(=O)O)CC1.
What is the InChIKey of 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid?
The InChIKey is PGTQCTKFRPZSGF-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H24N2O5S/c1-14(15-9-11-22(12-10-15)20(23)24)27-17-5-8-19(21-13-17)16-3-6-18(7-4-16)28(2,25)26/h3-8,13-15H,9-12H2,1-2H3,(H,23,24)/t14-/m0/s1.
What are the key properties of 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid?
4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid has a molecular weight of 404.49 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-[[6-(4-methylsulfonylphenyl)-3-pyridinyl]oxy]ethyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91186698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).