1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone

C18H20N4O2S — CID 154773161

IUPAC1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1cnon1)C1CCCN(C(=O)c2csc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-21(10-13-9-19-24-20-13)14-5-4-8-22(11-14)18(23)16-12-25-17-7-3-2-6-15(16)17/h2-3,6-7,9,12,14H,4-5,8,10-11H2,1H3
InChIKeyXRWQQGGIUNTSHU-UHFFFAOYSA-N
MW356.45 g/mol
LogP3.02
Rot. Bonds4

About 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone

1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone (PubChem CID 154773161) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
PubChem CID154773161
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone
SMILESCN(Cc1cnon1)C1CCCN(C(=O)c2csc3ccccc23)C1
InChIInChI=1S/C18H20N4O2S/c1-21(10-13-9-19-24-20-13)14-5-4-8-22(11-14)18(23)16-12-25-17-7-3-2-6-15(16)17/h2-3,6-7,9,12,14H,4-5,8,10-11H2,1H3
InChIKeyXRWQQGGIUNTSHU-UHFFFAOYSA-N
XLogP3.02
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The IUPAC name of 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone (CID 154773161) is 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone.
What is the SMILES notation for 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The canonical SMILES for 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone is CN(Cc1cnon1)C1CCCN(C(=O)c2csc3ccccc23)C1.
What is the InChIKey of 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
The InChIKey is XRWQQGGIUNTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-21(10-13-9-19-24-20-13)14-5-4-8-22(11-14)18(23)16-12-25-17-7-3-2-6-15(16)17/h2-3,6-7,9,12,14H,4-5,8,10-11H2,1H3.
What are the key properties of 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone?
1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone has a molecular weight of 356.45 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophen-3-yl-[3-[methyl(1,2,5-oxadiazol-3-ylmethyl)amino]piperidin-1-yl]methanone is sourced from PubChem (CID 154773161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).