1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

C15H23N3O4S — CID 110335855

IUPAC1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H23N3O4S/c1-22-9-10-23(20,21)18-8-4-5-13(12-18)15(19)17-11-14-6-2-3-7-16-14/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,19)
InChIKeyUUVHWXKEBONYAB-UHFFFAOYSA-N
MW341.43 g/mol
LogP0.39
Rot. Bonds7

About 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide

1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 110335855) has the molecular formula C15H23N3O4S and a molecular weight of 341.43 g/mol. Its IUPAC name is 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID110335855
Molecular FormulaC15H23N3O4S
Molecular Weight341.43 g/mol
Exact Mass341.14
IUPAC Name1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCOCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H23N3O4S/c1-22-9-10-23(20,21)18-8-4-5-13(12-18)15(19)17-11-14-6-2-3-7-16-14/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,19)
InChIKeyUUVHWXKEBONYAB-UHFFFAOYSA-N
XLogP0.39
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 4532780
N-[(2-chlorophenyl)methyl]-1-(2-methoxyethylsulfonyl)piperidine-3-carboxamide
CID 110335849
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
1-(2-methoxyethylsulfonyl)-N-[(4-methoxyphenyl)methyl]piperidine-3-carboxamide
CID 110335852
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579409
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3R)-1-(4-acetamidophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 41009115
(3R)-1-[(2,4-dichlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 27245318
1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335784
1-(2-methoxyethylsulfonyl)-N-(3-methoxypropyl)piperidine-3-carboxamide
CID 110335830

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 110335855) is 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is COCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is UUVHWXKEBONYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O4S/c1-22-9-10-23(20,21)18-8-4-5-13(12-18)15(19)17-11-14-6-2-3-7-16-14/h2-3,6-7,13H,4-5,8-12H2,1H3,(H,17,19).
What are the key properties of 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 341.43 g/mol, XLogP of 0.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 110335855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).