2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone

C16H26N4O3S — CID 20949715

IUPAC2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14-5-9-20(10-6-14)24(22,23)15-11-18(13-17-15)12-16(21)19-7-3-2-4-8-19/h11,13-14H,2-10,12H2,1H3
InChIKeySMLMBKSIICCQOQ-UHFFFAOYSA-N
MW354.48 g/mol
LogP1.32
Rot. Bonds4

About 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone

2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone (PubChem CID 20949715) has the molecular formula C16H26N4O3S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone
PubChem CID20949715
Molecular FormulaC16H26N4O3S
Molecular Weight354.48 g/mol
Exact Mass354.17
IUPAC Name2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone
SMILESCC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCCCC3)cn2)CC1
InChIInChI=1S/C16H26N4O3S/c1-14-5-9-20(10-6-14)24(22,23)15-11-18(13-17-15)12-16(21)19-7-3-2-4-8-19/h11,13-14H,2-10,12H2,1H3
InChIKeySMLMBKSIICCQOQ-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 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone?
The IUPAC name of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone (CID 20949715) is 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone.
What is the SMILES notation for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone?
The canonical SMILES for 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone is CC1CCN(S(=O)(=O)c2cn(CC(=O)N3CCCCC3)cn2)CC1.
What is the InChIKey of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone?
The InChIKey is SMLMBKSIICCQOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3S/c1-14-5-9-20(10-6-14)24(22,23)15-11-18(13-17-15)12-16(21)19-7-3-2-4-8-19/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone?
2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone 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 2-[4-(4-methylpiperidin-1-yl)sulfonylimidazol-1-yl]-1-piperidin-1-ylethanone is sourced from PubChem (CID 20949715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).