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

C19H30N2O3S — CID 51128591

IUPACN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)CCC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-25(23,24)18-8-6-17(7-9-18)21-13-11-16(12-14-21)20-19(22)10-5-15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22)
InChIKeyXPVXCZOKBAJSHJ-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.00
Rot. Bonds7

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

N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide (PubChem CID 51128591) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide.

Molecular Properties

Compound NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide
PubChem CID51128591
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide
SMILESCCS(=O)(=O)c1ccc(N2CCC(NC(=O)CCC(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O3S/c1-4-25(23,24)18-8-6-17(7-9-18)21-13-11-16(12-14-21)20-19(22)10-5-15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22)
InChIKeyXPVXCZOKBAJSHJ-UHFFFAOYSA-N
XLogP3.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.00
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]-4-methylpentanamide?
The IUPAC name of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide (CID 51128591) is N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide.
What is the SMILES notation for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide?
The canonical SMILES for N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide is CCS(=O)(=O)c1ccc(N2CCC(NC(=O)CCC(C)C)CC2)cc1.
What is the InChIKey of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide?
The InChIKey is XPVXCZOKBAJSHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-4-25(23,24)18-8-6-17(7-9-18)21-13-11-16(12-14-21)20-19(22)10-5-15(2)3/h6-9,15-16H,4-5,10-14H2,1-3H3,(H,20,22).
What are the key properties of N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide?
N-[1-(4-ethylsulfonylphenyl)piperidin-4-yl]-4-methylpentanamide has a molecular weight of 366.53 g/mol, XLogP of 3.00, 7 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]-4-methylpentanamide is sourced from PubChem (CID 51128591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).