4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid

C25H26N2O5S — CID 70126130

IUPAC4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)C2CCN(Cc3ccc(-c4ccccn4)cc3)C(C(=O)O)C2)cc1
InChIInChI=1S/C25H26N2O5S/c1-32-20-9-11-21(12-10-20)33(30,31)22-13-15-27(24(16-22)25(28)29)17-18-5-7-19(8-6-18)23-4-2-3-14-26-23/h2-12,14,22,24H,13,15-17H2,1H3,(H,28,29)
InChIKeyKKERFNLSLPUQAO-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.65
Rot. Bonds7

About 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid

4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid (PubChem CID 70126130) has the molecular formula C25H26N2O5S and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid
PubChem CID70126130
Molecular FormulaC25H26N2O5S
Molecular Weight466.56 g/mol
Exact Mass466.16
IUPAC Name4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid
SMILESCOc1ccc(S(=O)(=O)C2CCN(Cc3ccc(-c4ccccn4)cc3)C(C(=O)O)C2)cc1
InChIInChI=1S/C25H26N2O5S/c1-32-20-9-11-21(12-10-20)33(30,31)22-13-15-27(24(16-22)25(28)29)17-18-5-7-19(8-6-18)23-4-2-3-14-26-23/h2-12,14,22,24H,13,15-17H2,1H3,(H,28,29)
InChIKeyKKERFNLSLPUQAO-UHFFFAOYSA-N
XLogP3.65
TPSA96.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid with MolForge

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Related Compounds

4-(4-butoxyphenyl)sulfonyl-1-(3-phenoxypropyl)piperidine-2-carboxylic acid
CID 54511086
ethyl 4-(4-methoxyphenyl)sulfonyl-1-(2-phenylethyl)piperidine-2-carboxylate
CID 70133731
4-ethyl-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 114430849
(2R)-1-[(4-methoxyphenyl)methyl]piperidine-2-carboxylic acid
CID 7048458
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-(4-phenylphenoxy)ethanone
CID 90591858
(3R,5S)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidin-3-ol
CID 26744186
1-benzyl-4-methylpiperidine-2-carboxylic acid;4-methylbenzenesulfonic acid
CID 86735354
hydroxylamine;1-[2-(4-methoxyphenyl)ethyl]-2-(4-methoxyphenyl)sulfonylpiperidine-4-carboxylic acid
CID 70097581
1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 90591930
(2S,4R)-4-amino-N-ethyl-1-[(4-pyridin-2-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 70756398
1-hydroxy-4-(4-methoxyphenyl)sulfonylpiperidine
CID 122445486
(2-methoxyphenyl)-[4-[(4-pyridin-2-ylphenyl)methyl]piperazin-1-yl]methanone
CID 56912164

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid?
The IUPAC name of 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid (CID 70126130) is 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid?
The canonical SMILES for 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid is COc1ccc(S(=O)(=O)C2CCN(Cc3ccc(-c4ccccn4)cc3)C(C(=O)O)C2)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid?
The InChIKey is KKERFNLSLPUQAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5S/c1-32-20-9-11-21(12-10-20)33(30,31)22-13-15-27(24(16-22)25(28)29)17-18-5-7-19(8-6-18)23-4-2-3-14-26-23/h2-12,14,22,24H,13,15-17H2,1H3,(H,28,29).
What are the key properties of 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid?
4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid has a molecular weight of 466.56 g/mol, XLogP of 3.65, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)sulfonyl-1-[(4-pyridin-2-ylphenyl)methyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 70126130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).