4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide

C15H22N2O3S — CID 91911369

IUPAC4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)17-9-7-13(8-10-17)11-12-3-5-14(6-4-12)15(16)18/h3-6,13H,2,7-11H2,1H3,(H2,16,18)
InChIKeyASDPGXRMPJNRMC-UHFFFAOYSA-N
MW310.42 g/mol
LogP1.39
Rot. Bonds5

About 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide

4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide (PubChem CID 91911369) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide
PubChem CID91911369
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide
SMILESCCS(=O)(=O)N1CCC(Cc2ccc(C(N)=O)cc2)CC1
InChIInChI=1S/C15H22N2O3S/c1-2-21(19,20)17-9-7-13(8-10-17)11-12-3-5-14(6-4-12)15(16)18/h3-6,13H,2,7-11H2,1H3,(H2,16,18)
InChIKeyASDPGXRMPJNRMC-UHFFFAOYSA-N
XLogP1.39
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide?
The IUPAC name of 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide (CID 91911369) is 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide is CCS(=O)(=O)N1CCC(Cc2ccc(C(N)=O)cc2)CC1.
What is the InChIKey of 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide?
The InChIKey is ASDPGXRMPJNRMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-2-21(19,20)17-9-7-13(8-10-17)11-12-3-5-14(6-4-12)15(16)18/h3-6,13H,2,7-11H2,1H3,(H2,16,18).
What are the key properties of 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide?
4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide has a molecular weight of 310.42 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylsulfonylpiperidin-4-yl)methyl]benzamide is sourced from PubChem (CID 91911369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).