1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine

C16H28N4O2S — CID 138627901

IUPAC1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)ncn1C
InChIInChI=1S/C16H28N4O2S/c1-13-4-8-19(9-5-13)15-6-10-20(11-7-15)23(21,22)16-14(2)18(3)12-17-16/h12-13,15H,4-11H2,1-3H3
InChIKeyNQLBZYPFDXJEAV-UHFFFAOYSA-N
MW340.49 g/mol
LogP1.61
Rot. Bonds3

About 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine

1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine (PubChem CID 138627901) has the molecular formula C16H28N4O2S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine.

Molecular Properties

Compound Name1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
PubChem CID138627901
Molecular FormulaC16H28N4O2S
Molecular Weight340.49 g/mol
Exact Mass340.19
IUPAC Name1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine
SMILESCc1c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)ncn1C
InChIInChI=1S/C16H28N4O2S/c1-13-4-8-19(9-5-13)15-6-10-20(11-7-15)23(21,22)16-14(2)18(3)12-17-16/h12-13,15H,4-11H2,1-3H3
InChIKeyNQLBZYPFDXJEAV-UHFFFAOYSA-N
XLogP1.61
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The IUPAC name of 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine (CID 138627901) is 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine.
What is the SMILES notation for 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The canonical SMILES for 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine is Cc1c(S(=O)(=O)N2CCC(N3CCC(C)CC3)CC2)ncn1C.
What is the InChIKey of 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
The InChIKey is NQLBZYPFDXJEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2S/c1-13-4-8-19(9-5-13)15-6-10-20(11-7-15)23(21,22)16-14(2)18(3)12-17-16/h12-13,15H,4-11H2,1-3H3.
What are the key properties of 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine?
1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine has a molecular weight of 340.49 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1,5-dimethylimidazol-4-yl)sulfonylpiperidin-4-yl]-4-methylpiperidine is sourced from PubChem (CID 138627901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).