N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

C16H22N2O4S — CID 2953770

IUPACN-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-3-23(21,22)18-10-8-14(9-11-18)16(20)17-15-6-4-13(5-7-15)12(2)19/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyYTJCWMIZTKFNDS-UHFFFAOYSA-N
MW338.43 g/mol
LogP1.89
Rot. Bonds5

About N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide

N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (PubChem CID 2953770) has the molecular formula C16H22N2O4S and a molecular weight of 338.43 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
PubChem CID2953770
Molecular FormulaC16H22N2O4S
Molecular Weight338.43 g/mol
Exact Mass338.13
IUPAC NameN-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide
SMILESCCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1
InChIInChI=1S/C16H22N2O4S/c1-3-23(21,22)18-10-8-14(9-11-18)16(20)17-15-6-4-13(5-7-15)12(2)19/h4-7,14H,3,8-11H2,1-2H3,(H,17,20)
InChIKeyYTJCWMIZTKFNDS-UHFFFAOYSA-N
XLogP1.89
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.43
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide (CID 2953770) is N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is CCS(=O)(=O)N1CCC(C(=O)Nc2ccc(C(C)=O)cc2)CC1.
What is the InChIKey of N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
The InChIKey is YTJCWMIZTKFNDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O4S/c1-3-23(21,22)18-10-8-14(9-11-18)16(20)17-15-6-4-13(5-7-15)12(2)19/h4-7,14H,3,8-11H2,1-2H3,(H,17,20).
What are the key properties of N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide?
N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide has a molecular weight of 338.43 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-ethylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 2953770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).