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

C15H26N4O2S — CID 118308403

IUPAC4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3nccn3C)CC2)CC1
InChIInChI=1S/C15H26N4O2S/c1-13-3-8-18(9-4-13)14-5-10-19(11-6-14)22(20,21)15-16-7-12-17(15)2/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyOJHBSMOOJJDEQD-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.31
Rot. Bonds3

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

4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine (PubChem CID 118308403) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine.

Molecular Properties

Compound Name4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine
PubChem CID118308403
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3nccn3C)CC2)CC1
InChIInChI=1S/C15H26N4O2S/c1-13-3-8-18(9-4-13)14-5-10-19(11-6-14)22(20,21)15-16-7-12-17(15)2/h7,12-14H,3-6,8-11H2,1-2H3
InChIKeyOJHBSMOOJJDEQD-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine?
The IUPAC name of 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine (CID 118308403) is 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine.
What is the SMILES notation for 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine?
The canonical SMILES for 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine is CC1CCN(C2CCN(S(=O)(=O)c3nccn3C)CC2)CC1.
What is the InChIKey of 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine?
The InChIKey is OJHBSMOOJJDEQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-13-3-8-18(9-4-13)14-5-10-19(11-6-14)22(20,21)15-16-7-12-17(15)2/h7,12-14H,3-6,8-11H2,1-2H3.
What are the key properties of 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine?
4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine has a molecular weight of 326.47 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[1-(1-methylimidazol-2-yl)sulfonylpiperidin-4-yl]piperidine is sourced from PubChem (CID 118308403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).