2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide

C15H23N3O4S — CID 167762869

IUPAC2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide
SMILESCON1CCC(CC(=O)NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H23N3O4S/c1-22-18-9-5-13(6-10-18)12-15(19)17-23(20,21)11-7-14-4-2-3-8-16-14/h2-4,8,13H,5-7,9-12H2,1H3,(H,17,19)
InChIKeyROZGCKZOJPVYAP-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.73
Rot. Bonds7

About 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide

2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide (PubChem CID 167762869) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide.

Molecular Properties

Compound Name2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide
PubChem CID167762869
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide
SMILESCON1CCC(CC(=O)NS(=O)(=O)CCc2ccccn2)CC1
InChIInChI=1S/C15H23N3O4S/c1-22-18-9-5-13(6-10-18)12-15(19)17-23(20,21)11-7-14-4-2-3-8-16-14/h2-4,8,13H,5-7,9-12H2,1H3,(H,17,19)
InChIKeyROZGCKZOJPVYAP-UHFFFAOYSA-N
XLogP0.73
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-(2-pyridin-2-ylethylsulfonyl)pyrrolidine-2-carboxylate
CID 60865617
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
N-(cyclooctylmethyl)-2-pyridin-2-ylethanesulfonamide
CID 75493544
[1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-yl]methanol
CID 54878771
1-(2-pyridin-2-ylethylsulfonyl)piperidin-4-amine
CID 60864901
1-[(3S)-1-methylpyrrolidin-3-yl]-4-pyridin-2-ylbutan-2-one
CID 58032898
2-(2-pyridin-2-ylethylsulfonylamino)pentanoic acid
CID 60865090
methyl (2R)-1-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxylate
CID 94335033
methyl 4-(2-pyridin-2-ylethylsulfonyl)morpholine-2-carboxylate
CID 78926034
ethyl 2-(2-pyridin-2-ylethylsulfonylamino)acetate
CID 60863124
methyl 1-(2-pyridin-2-ylethyl)piperidine-4-carboxylate
CID 60648150
3,3-dimethyl-2-(2-pyridin-2-ylethylsulfonylamino)butanoic acid
CID 60864746

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide?
The IUPAC name of 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide (CID 167762869) is 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide.
What is the SMILES notation for 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide?
The canonical SMILES for 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide is CON1CCC(CC(=O)NS(=O)(=O)CCc2ccccn2)CC1.
What is the InChIKey of 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide?
The InChIKey is ROZGCKZOJPVYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-18-9-5-13(6-10-18)12-15(19)17-23(20,21)11-7-14-4-2-3-8-16-14/h2-4,8,13H,5-7,9-12H2,1H3,(H,17,19).
What are the key properties of 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide?
2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 0.73, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypiperidin-4-yl)-N-(2-pyridin-2-ylethylsulfonyl)acetamide is sourced from PubChem (CID 167762869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).