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

C15H23N3O3S — CID 119978149

IUPACN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-14-3-5-15(6-4-14)22(20,21)18-9-7-13(8-10-18)11-16-2/h3-6,13,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyIQQOBQMHQAOVMY-UHFFFAOYSA-N
MW325.43 g/mol
LogP1.27
Rot. Bonds5

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

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide (PubChem CID 119978149) has the molecular formula C15H23N3O3S and a molecular weight of 325.43 g/mol. Its IUPAC name is N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
PubChem CID119978149
Molecular FormulaC15H23N3O3S
Molecular Weight325.43 g/mol
Exact Mass325.15
IUPAC NameN-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
SMILESCNCC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1
InChIInChI=1S/C15H23N3O3S/c1-12(19)17-14-3-5-15(6-4-14)22(20,21)18-9-7-13(8-10-18)11-16-2/h3-6,13,16H,7-11H2,1-2H3,(H,17,19)
InChIKeyIQQOBQMHQAOVMY-UHFFFAOYSA-N
XLogP1.27
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.43
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]propanamide
CID 119978186
N-[4-[4-(methylamino)piperidin-1-yl]sulfonylphenyl]acetamide
CID 60819644
N-[2-fluoro-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119978571
N-[2-methyl-5-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide;hydrochloride
CID 119978274
N-[4-[4-(1-aminoethyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 119974725
N-[4-[4-(piperidine-1-carbonyl)piperidin-1-yl]sulfonylphenyl]acetamide
CID 26947333
N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 764494
N-[[1-(4-hydroxyphenyl)sulfonylpiperidin-4-yl]methyl]acetamide
CID 102736733
N-methyl-1-[1-[4-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]methanamine
CID 119978068
N-[4-[4-[2-(3,5-dimethoxyphenyl)ethyl]piperidin-1-yl]sulfonylphenyl]acetamide
CID 24603108
2-[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]-N-butylacetamide
CID 46294919
N-[4-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119542570

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The IUPAC name of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide (CID 119978149) is N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide is CNCC1CCN(S(=O)(=O)c2ccc(NC(C)=O)cc2)CC1.
What is the InChIKey of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
The InChIKey is IQQOBQMHQAOVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S/c1-12(19)17-14-3-5-15(6-4-14)22(20,21)18-9-7-13(8-10-18)11-16-2/h3-6,13,16H,7-11H2,1-2H3,(H,17,19).
What are the key properties of N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide?
N-[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]acetamide has a molecular weight of 325.43 g/mol, XLogP of 1.27, 5 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]acetamide is sourced from PubChem (CID 119978149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).