1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

C16H26N4O3S — CID 20949491

IUPAC1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14-5-9-19(10-6-14)16(21)12-18-11-15(17-13-18)24(22,23)20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeyADVJEIZLKRUCBA-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.32
Rot. Bonds4

About 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone

1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (PubChem CID 20949491) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
PubChem CID20949491
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone
SMILESCC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14-5-9-19(10-6-14)16(21)12-18-11-15(17-13-18)24(22,23)20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeyADVJEIZLKRUCBA-UHFFFAOYSA-N
XLogP1.32
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The IUPAC name of 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone (CID 20949491) is 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone.
What is the SMILES notation for 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The canonical SMILES for 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is CC1CCN(C(=O)Cn2cnc(S(=O)(=O)N3CCCCC3)c2)CC1.
What is the InChIKey of 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
The InChIKey is ADVJEIZLKRUCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-14-5-9-19(10-6-14)16(21)12-18-11-15(17-13-18)24(22,23)20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone?
1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone has a molecular weight of 354.48 g/mol, XLogP of 1.32, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-1-yl)-2-(4-piperidin-1-ylsulfonylimidazol-1-yl)ethanone is sourced from PubChem (CID 20949491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).