1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide

C22H28N2O6S — CID 55376283

IUPAC1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-29-20-9-8-18(14-21(20)30-2)31(27,28)24-12-10-17(11-13-24)22(26)23-15-19(25)16-6-4-3-5-7-16/h3-9,14,17,19,25H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyICUUEVHOIMRAMO-UHFFFAOYSA-N
MW448.54 g/mol
LogP1.95
Rot. Bonds8

About 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide

1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide (PubChem CID 55376283) has the molecular formula C22H28N2O6S and a molecular weight of 448.54 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
PubChem CID55376283
Molecular FormulaC22H28N2O6S
Molecular Weight448.54 g/mol
Exact Mass448.17
IUPAC Name1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O6S/c1-29-20-9-8-18(14-21(20)30-2)31(27,28)24-12-10-17(11-13-24)22(26)23-15-19(25)16-6-4-3-5-7-16/h3-9,14,17,19,25H,10-13,15H2,1-2H3,(H,23,26)
InChIKeyICUUEVHOIMRAMO-UHFFFAOYSA-N
XLogP1.95
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.54
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3,4-dimethoxyphenyl)sulfonyl-N-propylpiperidine-4-carboxamide
CID 27256239
N-[2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 90613388
1-(3,4-dimethoxyphenyl)sulfonyl-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]piperidine-4-carboxamide
CID 43060747
N-(4-acetamidophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 2941914
1-(3,4-dimethoxyphenyl)sulfonyl-N-(pyridin-4-ylmethyl)piperidine-4-carboxamide
CID 1088313
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873030
N-cyclopentyl-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1326017
1-(3,4-dimethoxyphenyl)sulfonyl-N-[(2,4-dimethylphenyl)methyl]piperidine-4-carboxamide
CID 46587702
N-(4-chlorophenyl)-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 1088320
1-(3,4-dimethoxyphenyl)sulfonyl-N-(3,4-dimethylphenyl)piperidine-4-carboxamide
CID 1088318
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550998
1-(3,4-dimethoxyphenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63031833

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide (CID 55376283) is 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide is COc1ccc(S(=O)(=O)N2CCC(C(=O)NCC(O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
The InChIKey is ICUUEVHOIMRAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O6S/c1-29-20-9-8-18(14-21(20)30-2)31(27,28)24-12-10-17(11-13-24)22(26)23-15-19(25)16-6-4-3-5-7-16/h3-9,14,17,19,25H,10-13,15H2,1-2H3,(H,23,26).
What are the key properties of 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide?
1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide has a molecular weight of 448.54 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)sulfonyl-N-(2-hydroxy-2-phenylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 55376283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).