2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

C20H27N3O2S — CID 52952613

IUPAC2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCC1CCC(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)CC1
InChIInChI=1S/C20H27N3O2S/c1-14-4-6-15(7-5-14)13-18(24)23-10-8-16(9-11-23)20-21-19(22-25-20)17-3-2-12-26-17/h2-3,12,14-16H,4-11,13H2,1H3
InChIKeyZPZJLFZLQVBLLY-UHFFFAOYSA-N
MW373.52 g/mol
LogP4.72
Rot. Bonds4

About 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone

2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (PubChem CID 52952613) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
PubChem CID52952613
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC Name2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone
SMILESCC1CCC(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)CC1
InChIInChI=1S/C20H27N3O2S/c1-14-4-6-15(7-5-14)13-18(24)23-10-8-16(9-11-23)20-21-19(22-25-20)17-3-2-12-26-17/h2-3,12,14-16H,4-11,13H2,1H3
InChIKeyZPZJLFZLQVBLLY-UHFFFAOYSA-N
XLogP4.72
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone (CID 52952613) is 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is CC1CCC(CC(=O)N2CCC(c3nc(-c4cccs4)no3)CC2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
The InChIKey is ZPZJLFZLQVBLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-14-4-6-15(7-5-14)13-18(24)23-10-8-16(9-11-23)20-21-19(22-25-20)17-3-2-12-26-17/h2-3,12,14-16H,4-11,13H2,1H3.
What are the key properties of 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone?
2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone has a molecular weight of 373.52 g/mol, XLogP of 4.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 52952613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).