2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine

C15H26N4O2S — CID 154002650

IUPAC2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCCCN1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C15H26N4O2S/c1-13-5-3-4-8-19(13)14-6-9-18(10-7-14)22(20,21)15-11-17(2)12-16-15/h11-14H,3-10H2,1-2H3
InChIKeyDGFUTVFOPGKWGC-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.45
Rot. Bonds3

About 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine

2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 154002650) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
PubChem CID154002650
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCCCN1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1
InChIInChI=1S/C15H26N4O2S/c1-13-5-3-4-8-19(13)14-6-9-18(10-7-14)22(20,21)15-11-17(2)12-16-15/h11-14H,3-10H2,1-2H3
InChIKeyDGFUTVFOPGKWGC-UHFFFAOYSA-N
XLogP1.45
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine (CID 154002650) is 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine is CC1CCCCN1C1CCN(S(=O)(=O)c2cn(C)cn2)CC1.
What is the InChIKey of 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is DGFUTVFOPGKWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13-5-3-4-8-19(13)14-6-9-18(10-7-14)22(20,21)15-11-17(2)12-16-15/h11-14H,3-10H2,1-2H3.
What are the key properties of 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine?
2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 326.47 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 154002650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).