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

C15H23N3O3S — CID 4532780

IUPAC1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-9-5-6-13(12-18)15(19)17-11-14-7-3-4-8-16-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,19)
InChIKeyFFDVLXJNJNJHLD-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.15
Rot. Bonds6

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

1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (PubChem CID 4532780) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
PubChem CID4532780
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC Name1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
SMILESCCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1
InChIInChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-9-5-6-13(12-18)15(19)17-11-14-7-3-4-8-16-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,19)
InChIKeyFFDVLXJNJNJHLD-UHFFFAOYSA-N
XLogP1.15
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-(1-propylsulfonylpiperidin-4-yl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 96579409
1-(2-methoxyethylsulfonyl)-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 110335855
(3R)-1-[(4-chlorophenyl)methylsulfonyl]-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 92641975
1-(3,5-dimethylpiperidin-1-yl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 15996427
N-[(2-chlorophenyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 4115045
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)-N-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-propylsulfonylpiperidine-3-carboxamide
CID 51956462
(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
methyl 1-(2-pyridin-2-ylethylsulfonyl)piperidine-3-carboxylate
CID 78920725
ethyl 1,2,5-trimethyl-4-[(3S)-3-(pyridin-2-ylmethylcarbamoyl)piperidin-1-yl]sulfonylpyrrole-3-carboxylate
CID 92731119

Frequently Asked Questions

What is the IUPAC name of 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide (CID 4532780) is 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is CCCS(=O)(=O)N1CCCC(C(=O)NCc2ccccn2)C1.
What is the InChIKey of 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
The InChIKey is FFDVLXJNJNJHLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-2-10-22(20,21)18-9-5-6-13(12-18)15(19)17-11-14-7-3-4-8-16-14/h3-4,7-8,13H,2,5-6,9-12H2,1H3,(H,17,19).
What are the key properties of 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide?
1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide has a molecular weight of 325.43 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 4532780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).