4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

C20H27N3O3S — CID 95809660

IUPAC4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-13-11-16(12-14-23)19-9-6-8-18(21-19)15-17-7-4-5-10-20(17)26-3/h4-10,16H,11-15H2,1-3H3
InChIKeyZEXIYOYKXGMCHU-UHFFFAOYSA-N
MW389.52 g/mol
LogP2.67
Rot. Bonds6

About 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide

4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (PubChem CID 95809660) has the molecular formula C20H27N3O3S and a molecular weight of 389.52 g/mol. Its IUPAC name is 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.

Molecular Properties

Compound Name4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
PubChem CID95809660
Molecular FormulaC20H27N3O3S
Molecular Weight389.52 g/mol
Exact Mass389.18
IUPAC Name4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
SMILESCOc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1
InChIInChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-13-11-16(12-14-23)19-9-6-8-18(21-19)15-17-7-4-5-10-20(17)26-3/h4-10,16H,11-15H2,1-3H3
InChIKeyZEXIYOYKXGMCHU-UHFFFAOYSA-N
XLogP2.67
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.52
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95808984
2-[(2-methoxyphenyl)methyl]-6-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyridine
CID 95809169
2-amino-6-[1-(dimethylsulfamoyl)piperidin-4-yl]-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 92640464
2-[(2S)-2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]-N,N-dimethylacetamide
CID 95818195
2-benzyl-6-(1-methylsulfonylpiperidin-4-yl)pyridine
CID 95817967
(3S)-3-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809658
3-[5-[2-(2-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]-N,N-dimethylpyrrolidine-1-sulfonamide
CID 110261314
4-[2-(2-methoxyphenyl)acetyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 32501062
2-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-6-[(2-methylphenyl)methyl]pyridine
CID 95810677
1-[4-[2-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]pyrrolidin-1-yl]piperidin-1-yl]ethanone
CID 110254712
(3R)-3-[6-[(3-fluorophenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide
CID 95809657
(3S)-N,N-dimethyl-3-[6-[(3-methylphenyl)methyl]-2-pyridinyl]piperidine-1-sulfonamide
CID 95809648

Frequently Asked Questions

What is the IUPAC name of 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The IUPAC name of 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide (CID 95809660) is 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide.
What is the SMILES notation for 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The canonical SMILES for 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is COc1ccccc1Cc1cccc(C2CCN(S(=O)(=O)N(C)C)CC2)n1.
What is the InChIKey of 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
The InChIKey is ZEXIYOYKXGMCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3S/c1-22(2)27(24,25)23-13-11-16(12-14-23)19-9-6-8-18(21-19)15-17-7-4-5-10-20(17)26-3/h4-10,16H,11-15H2,1-3H3.
What are the key properties of 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide?
4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide has a molecular weight of 389.52 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(2-methoxyphenyl)methyl]-2-pyridinyl]-N,N-dimethylpiperidine-1-sulfonamide is sourced from PubChem (CID 95809660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).