1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

C22H28N2O5S — CID 26594400

IUPAC1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-23(16-17-9-10-20(28-2)21(15-17)29-3)22(25)18-11-13-24(14-12-18)30(26,27)19-7-5-4-6-8-19/h4-10,15,18H,11-14,16H2,1-3H3
InChIKeyDGXJAIFVEGPHBJ-UHFFFAOYSA-N
MW432.54 g/mol
LogP2.76
Rot. Bonds7

About 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide

1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 26594400) has the molecular formula C22H28N2O5S and a molecular weight of 432.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID26594400
Molecular FormulaC22H28N2O5S
Molecular Weight432.54 g/mol
Exact Mass432.17
IUPAC Name1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCOc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC
InChIInChI=1S/C22H28N2O5S/c1-23(16-17-9-10-20(28-2)21(15-17)29-3)22(25)18-11-13-24(14-12-18)30(26,27)19-7-5-4-6-8-19/h4-10,15,18H,11-14,16H2,1-3H3
InChIKeyDGXJAIFVEGPHBJ-UHFFFAOYSA-N
XLogP2.76
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.54
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 26594403
1-(benzenesulfonyl)-N-[(4-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 26250294
1-(3,4-dimethoxyphenyl)sulfonyl-N-methyl-N-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 30856966
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide
CID 28633693
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-4-carboxamide
CID 27780979
1-[(4-bromophenyl)methylsulfonyl]-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 38020175
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 28954361
N-benzyl-N-methyl-1-(3-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 113004164
N-benzyl-1-(3,4-dimethoxyphenyl)sulfonyl-N-methylpiperidine-3-carboxamide
CID 6490719
N-benzyl-1-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide;oxalic acid
CID 163328607
1-(4-chlorophenyl)sulfonyl-N-[(2-methoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 27824459
(2S)-1-(benzenesulfonyl)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-N-methylpyrrolidine-2-carboxamide
CID 30838799

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide (CID 26594400) is 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is COc1ccc(CN(C)C(=O)C2CCN(S(=O)(=O)c3ccccc3)CC2)cc1OC.
What is the InChIKey of 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is DGXJAIFVEGPHBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O5S/c1-23(16-17-9-10-20(28-2)21(15-17)29-3)22(25)18-11-13-24(14-12-18)30(26,27)19-7-5-4-6-8-19/h4-10,15,18H,11-14,16H2,1-3H3.
What are the key properties of 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide?
1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 432.54 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-[(3,4-dimethoxyphenyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 26594400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).