N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide

C20H30N2O3S — CID 51128583

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-2-26(24,25)19-10-8-18(9-11-19)22-14-12-17(13-15-22)21-20(23)16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23)
InChIKeySAQMLJHLKVRVKF-UHFFFAOYSA-N
MW378.54 g/mol
LogP3.15
Rot. Bonds5

About N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide (PubChem CID 51128583) has the molecular formula C20H30N2O3S and a molecular weight of 378.54 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide
PubChem CID51128583
Molecular FormulaC20H30N2O3S
Molecular Weight378.54 g/mol
Exact Mass378.20
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)cc1
InChIInChI=1S/C20H30N2O3S/c1-2-26(24,25)19-10-8-18(9-11-19)22-14-12-17(13-15-22)21-20(23)16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23)
InChIKeySAQMLJHLKVRVKF-UHFFFAOYSA-N
XLogP3.15
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.54
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide (CID 51128583) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)C3CCCCC3)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide?
The InChIKey is SAQMLJHLKVRVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3S/c1-2-26(24,25)19-10-8-18(9-11-19)22-14-12-17(13-15-22)21-20(23)16-6-4-3-5-7-16/h8-11,16-17H,2-7,12-15H2,1H3,(H,21,23).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide has a molecular weight of 378.54 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]cyclohexanecarboxamide is sourced from PubChem (CID 51128583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).