N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide

C19H30N2O3S — CID 108562226

IUPACN-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-3-4-15-25(23,24)21-13-11-18(12-14-21)20-19(22)10-9-17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,20,22)
InChIKeyAERJIBXRRIPFTC-UHFFFAOYSA-N
MW366.53 g/mol
LogP2.64
Rot. Bonds8

About N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide

N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide (PubChem CID 108562226) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide.

Molecular Properties

Compound NameN-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
PubChem CID108562226
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
SMILESCCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1
InChIInChI=1S/C19H30N2O3S/c1-3-4-15-25(23,24)21-13-11-18(12-14-21)20-19(22)10-9-17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,20,22)
InChIKeyAERJIBXRRIPFTC-UHFFFAOYSA-N
XLogP2.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 108561858
N-(1-butylsulfonylpiperidin-4-yl)-4-(4-methylphenyl)-4-oxobutanamide
CID 108560437
N-(1-ethylsulfonylpiperidin-4-yl)-3-(4-fluorophenyl)propanamide
CID 110823021
N-(1-ethylsulfonylpiperidin-4-yl)-3-phenylpropanamide
CID 33220250
N-(1-butylsulfonylpiperidin-4-yl)-4-oxopentanamide
CID 108562840
N-(1-butanoylpiperidin-4-yl)-3-(4-methylphenyl)propanamide
CID 110819291
N-(1-butylsulfonylpiperidin-4-yl)-2-(4-ethoxyphenyl)acetamide
CID 108561311
ethyl 4-[3-(4-methylphenyl)propanoylamino]piperidine-1-carboxylate
CID 24554705
4-(4-tert-butylphenoxy)-N-(1-butylsulfonylpiperidin-4-yl)butanamide
CID 108561153
N-(1-ethylsulfonylpiperidin-4-yl)-3-(2-methylphenyl)propanamide
CID 110823020
N-(1-butylsulfonylpiperidin-4-yl)cyclopropanecarboxamide
CID 110823079
4-oxo-4-[(1-propylsulfonylpiperidin-4-yl)amino]butanoic acid
CID 60940483

Frequently Asked Questions

What is the IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The IUPAC name of N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide (CID 108562226) is N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide.
What is the SMILES notation for N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The canonical SMILES for N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide is CCCCS(=O)(=O)N1CCC(NC(=O)CCc2ccc(C)cc2)CC1.
What is the InChIKey of N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
The InChIKey is AERJIBXRRIPFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-3-4-15-25(23,24)21-13-11-18(12-14-21)20-19(22)10-9-17-7-5-16(2)6-8-17/h5-8,18H,3-4,9-15H2,1-2H3,(H,20,22).
What are the key properties of N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide?
N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide has a molecular weight of 366.53 g/mol, XLogP of 2.64, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butylsulfonylpiperidin-4-yl)-3-(4-methylphenyl)propanamide is sourced from PubChem (CID 108562226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).