2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

C20H31N3O3S — CID 3178238

IUPAC2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCC(C)C3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-16-9-12-23(13-10-16)27(25,26)19-7-5-18(6-8-19)21-20(24)15-22-11-3-4-17(2)14-22/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyMZLFICLLKHMARC-UHFFFAOYSA-N
MW393.55 g/mol
LogP2.78
Rot. Bonds5

About 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide

2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 3178238) has the molecular formula C20H31N3O3S and a molecular weight of 393.55 g/mol. Its IUPAC name is 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
PubChem CID3178238
Molecular FormulaC20H31N3O3S
Molecular Weight393.55 g/mol
Exact Mass393.21
IUPAC Name2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide
SMILESCC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCC(C)C3)cc2)CC1
InChIInChI=1S/C20H31N3O3S/c1-16-9-12-23(13-10-16)27(25,26)19-7-5-18(6-8-19)21-20(24)15-22-11-3-4-17(2)14-22/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24)
InChIKeyMZLFICLLKHMARC-UHFFFAOYSA-N
XLogP2.78
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.55
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide (CID 3178238) is 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is CC1CCN(S(=O)(=O)c2ccc(NC(=O)CN3CCCC(C)C3)cc2)CC1.
What is the InChIKey of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is MZLFICLLKHMARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N3O3S/c1-16-9-12-23(13-10-16)27(25,26)19-7-5-18(6-8-19)21-20(24)15-22-11-3-4-17(2)14-22/h5-8,16-17H,3-4,9-15H2,1-2H3,(H,21,24).
What are the key properties of 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide?
2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 393.55 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylpiperidin-1-yl)-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 3178238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).