1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

C14H21N3O3S — CID 3243901

IUPAC1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)17-9-6-12(7-10-17)14(18)16-11-13-5-3-4-8-15-13/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,16,18)
InChIKeyNPSJFFKFFOZTND-UHFFFAOYSA-N
MW311.41 g/mol
LogP0.76
Rot. Bonds5

About 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide

1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (PubChem CID 3243901) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
PubChem CID3243901
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1
InChIInChI=1S/C14H21N3O3S/c1-2-21(19,20)17-9-6-12(7-10-17)14(18)16-11-13-5-3-4-8-15-13/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,16,18)
InChIKeyNPSJFFKFFOZTND-UHFFFAOYSA-N
XLogP0.76
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The IUPAC name of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide (CID 3243901) is 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)NCc2ccccn2)CC1.
What is the InChIKey of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
The InChIKey is NPSJFFKFFOZTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-2-21(19,20)17-9-6-12(7-10-17)14(18)16-11-13-5-3-4-8-15-13/h3-5,8,12H,2,6-7,9-11H2,1H3,(H,16,18).
What are the key properties of 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide?
1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 0.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide is sourced from PubChem (CID 3243901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).