3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

C16H25N3O2S — CID 118308386

IUPAC3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-14-4-9-18(10-5-14)15-6-11-19(12-7-15)22(20,21)16-3-2-8-17-13-16/h2-3,8,13-15H,4-7,9-12H2,1H3
InChIKeyKQMFQJCSCAANSR-UHFFFAOYSA-N
MW323.46 g/mol
LogP1.97
Rot. Bonds3

About 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine

3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (PubChem CID 118308386) has the molecular formula C16H25N3O2S and a molecular weight of 323.46 g/mol. Its IUPAC name is 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.

Molecular Properties

Compound Name3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
PubChem CID118308386
Molecular FormulaC16H25N3O2S
Molecular Weight323.46 g/mol
Exact Mass323.17
IUPAC Name3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine
SMILESCC1CCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1
InChIInChI=1S/C16H25N3O2S/c1-14-4-9-18(10-5-14)15-6-11-19(12-7-15)22(20,21)16-3-2-8-17-13-16/h2-3,8,13-15H,4-7,9-12H2,1H3
InChIKeyKQMFQJCSCAANSR-UHFFFAOYSA-N
XLogP1.97
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The IUPAC name of 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine (CID 118308386) is 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine.
What is the SMILES notation for 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The canonical SMILES for 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is CC1CCN(C2CCN(S(=O)(=O)c3cccnc3)CC2)CC1.
What is the InChIKey of 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
The InChIKey is KQMFQJCSCAANSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2S/c1-14-4-9-18(10-5-14)15-6-11-19(12-7-15)22(20,21)16-3-2-8-17-13-16/h2-3,8,13-15H,4-7,9-12H2,1H3.
What are the key properties of 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine?
3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine has a molecular weight of 323.46 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]sulfonylpyridine is sourced from PubChem (CID 118308386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).