N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide

C16H25N3O3S — CID 119978186

IUPACN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-16(20)18-14-4-6-15(7-5-14)23(21,22)19-10-8-13(9-11-19)12-17-2/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyXHVWWZBKPPQBGS-UHFFFAOYSA-N
MW339.46 g/mol
LogP1.66
Rot. Bonds6

About N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide (PubChem CID 119978186) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide.

Molecular Properties

Compound NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
PubChem CID119978186
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1
InChIInChI=1S/C16H25N3O3S/c1-3-16(20)18-14-4-6-15(7-5-14)23(21,22)19-10-8-13(9-11-19)12-17-2/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20)
InChIKeyXHVWWZBKPPQBGS-UHFFFAOYSA-N
XLogP1.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978149
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119987555
N-[4-[4-(piperidin-1-ylmethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 46287323
N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-4-(propanoylamino)benzamide
CID 3307989
N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 832676
N,N'-bis[4-(4-methylpiperidin-1-yl)sulfonylphenyl]hexanediamide
CID 5172520
N-methyl-1-[1-(4-propoxyphenyl)sulfonylpiperidin-4-yl]methanamine
CID 119978174
3-ethoxy-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]propanamide
CID 2976005
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[4-[4-[(prop-2-enoylamino)methyl]piperidin-1-yl]sulfonylphenyl]cyclopropanecarboxamide
CID 89236264
2-cyclopentyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 7926292

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide (CID 119978186) is N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide.
What is the SMILES notation for N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The canonical SMILES for N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)N2CCC(CNC)CC2)cc1.
What is the InChIKey of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
The InChIKey is XHVWWZBKPPQBGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-3-16(20)18-14-4-6-15(7-5-14)23(21,22)19-10-8-13(9-11-19)12-17-2/h4-7,13,17H,3,8-12H2,1-2H3,(H,18,20).
What are the key properties of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide?
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide has a molecular weight of 339.46 g/mol, XLogP of 1.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide is sourced from PubChem (CID 119978186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).