1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

C17H32N4O3S — CID 128925402

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C17H32N4O3S/c1-15-11-16(2)13-19(12-15)17(22)14-18-7-9-21(10-8-18)25(23,24)20-5-3-4-6-20/h15-16H,3-14H2,1-2H3
InChIKeyJSFYLCCIYAJPJW-UHFFFAOYSA-N
MW372.54 g/mol
LogP0.45
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone

1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone (PubChem CID 128925402) has the molecular formula C17H32N4O3S and a molecular weight of 372.54 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
PubChem CID128925402
Molecular FormulaC17H32N4O3S
Molecular Weight372.54 g/mol
Exact Mass372.22
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone
SMILESCC1CC(C)CN(C(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)C1
InChIInChI=1S/C17H32N4O3S/c1-15-11-16(2)13-19(12-15)17(22)14-18-7-9-21(10-8-18)25(23,24)20-5-3-4-6-20/h15-16H,3-14H2,1-2H3
InChIKeyJSFYLCCIYAJPJW-UHFFFAOYSA-N
XLogP0.45
TPSA64.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone (CID 128925402) is 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone is CC1CC(C)CN(C(=O)CN2CCN(S(=O)(=O)N3CCCC3)CC2)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
The InChIKey is JSFYLCCIYAJPJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O3S/c1-15-11-16(2)13-19(12-15)17(22)14-18-7-9-21(10-8-18)25(23,24)20-5-3-4-6-20/h15-16H,3-14H2,1-2H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone?
1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone has a molecular weight of 372.54 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone is sourced from PubChem (CID 128925402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).