3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

C15H22N2O5S — CID 5017279

IUPAC3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-5-4-11(10-14(13)22-2)15(18)16-12-6-8-17(9-7-12)23(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyCTTFETIOTZYAIW-UHFFFAOYSA-N
MW342.42 g/mol
LogP0.86
Rot. Bonds5

About 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide

3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (PubChem CID 5017279) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
PubChem CID5017279
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
SMILESCOc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-5-4-11(10-14(13)22-2)15(18)16-12-6-8-17(9-7-12)23(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18)
InChIKeyCTTFETIOTZYAIW-UHFFFAOYSA-N
XLogP0.86
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 39999639
N-[1-(4-ethylphenyl)sulfonylpiperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559133
N-[1-[iodo(phenyl)methyl]piperidin-4-yl]-3-methoxy-4-(1-methylsulfonylpiperidin-4-yl)oxybenzamide
CID 69045688
N-cyclohexyl-3,4-dimethoxybenzamide;hydrochloride
CID 67897205
3,4-dimethoxy-N-(1-methylpyrrolidin-3-yl)benzamide
CID 110737599
3,5-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)-4-phenylmethoxybenzamide
CID 163363376
3-methoxy-4-propan-2-yloxy-N-(1-propylsulfonylpiperidin-4-yl)benzamide
CID 55695101
4-amino-N-(1-methylsulfonylpiperidin-4-yl)benzamide;hydrochloride
CID 119699919
N-(4-bromocyclohexyl)-3,4-dimethoxybenzamide
CID 114309034
3-methyl-N-(1-methylsulfonylpiperidin-4-yl)benzamide
CID 3218769
N-[1-(3,3-dimethylbutanoyl)piperidin-4-yl]-3,4-dimethoxybenzamide
CID 108559154
4-hydroxy-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide
CID 110463703

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The IUPAC name of 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide (CID 5017279) is 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The canonical SMILES for 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is COc1ccc(C(=O)NC2CCN(S(C)(=O)=O)CC2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
The InChIKey is CTTFETIOTZYAIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-5-4-11(10-14(13)22-2)15(18)16-12-6-8-17(9-7-12)23(3,19)20/h4-5,10,12H,6-9H2,1-3H3,(H,16,18).
What are the key properties of 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide?
3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide has a molecular weight of 342.42 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-(1-methylsulfonylpiperidin-4-yl)benzamide is sourced from PubChem (CID 5017279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).