(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

C18H24N4O5S — CID 92710882

IUPAC(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c(OC)c1
InChIInChI=1S/C18H24N4O5S/c1-21-11-17(19-12-21)28(24,25)22-8-4-5-13(10-22)18(23)20-15-7-6-14(26-2)9-16(15)27-3/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyOYLFYOHBKKXLMV-CYBMUJFWSA-N
MW408.48 g/mol
LogP1.48
Rot. Bonds6

About (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide

(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (PubChem CID 92710882) has the molecular formula C18H24N4O5S and a molecular weight of 408.48 g/mol. Its IUPAC name is (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
PubChem CID92710882
Molecular FormulaC18H24N4O5S
Molecular Weight408.48 g/mol
Exact Mass408.15
IUPAC Name(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
SMILESCOc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c(OC)c1
InChIInChI=1S/C18H24N4O5S/c1-21-11-17(19-12-21)28(24,25)22-8-4-5-13(10-22)18(23)20-15-7-6-14(26-2)9-16(15)27-3/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,20,23)/t13-/m1/s1
InChIKeyOYLFYOHBKKXLMV-CYBMUJFWSA-N
XLogP1.48
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.48
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92710886
N-(4-methoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958655
(3S)-1-(benzenesulfonyl)-N-(2,4-dimethoxyphenyl)piperidine-3-carboxamide
CID 7379045
(3R)-N-(4-chloro-2-methylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 92725572
N-(2,4-dimethoxyphenyl)-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 3746097
N-(3,4-dimethylphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958671
N-(2-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 20958662
N-(2,4-dimethoxyphenyl)-1-methylpiperidine-3-carboxamide
CID 110860603
N-(2,4-dimethoxyphenyl)-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335934
1-(1-methylimidazol-4-yl)sulfonyl-N-(3-methylphenyl)piperidine-3-carboxamide
CID 50794707
N-(5-chloro-2,4-dimethoxyphenyl)-1-(1-ethylimidazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 53085636
N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylpiperidine-3-carboxamide
CID 3151849

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide (CID 92710882) is (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is COc1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cn(C)cn3)C2)c(OC)c1.
What is the InChIKey of (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
The InChIKey is OYLFYOHBKKXLMV-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H24N4O5S/c1-21-11-17(19-12-21)28(24,25)22-8-4-5-13(10-22)18(23)20-15-7-6-14(26-2)9-16(15)27-3/h6-7,9,11-13H,4-5,8,10H2,1-3H3,(H,20,23)/t13-/m1/s1.
What are the key properties of (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide?
(3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide has a molecular weight of 408.48 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,4-dimethoxyphenyl)-1-(1-methylimidazol-4-yl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 92710882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).