N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

C15H22N2O5S — CID 4776833

IUPACN-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-12(9-14(13)22-2)16-15(18)11-5-4-8-17(10-11)23(3,19)20/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyADODKFTVOBMCRP-UHFFFAOYSA-N
MW342.42 g/mol
LogP1.31
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide

N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (PubChem CID 4776833) has the molecular formula C15H22N2O5S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
PubChem CID4776833
Molecular FormulaC15H22N2O5S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC NameN-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC
InChIInChI=1S/C15H22N2O5S/c1-21-13-7-6-12(9-14(13)22-2)16-15(18)11-5-4-8-17(10-11)23(3,19)20/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18)
InChIKeyADODKFTVOBMCRP-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide (CID 4776833) is N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)C2CCCN(S(C)(=O)=O)C2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
The InChIKey is ADODKFTVOBMCRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O5S/c1-21-13-7-6-12(9-14(13)22-2)16-15(18)11-5-4-8-17(10-11)23(3,19)20/h6-7,9,11H,4-5,8,10H2,1-3H3,(H,16,18).
What are the key properties of N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-1-methylsulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 4776833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).