(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride

C19H29Cl2N5O2S — CID 119868200

About (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride

(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119868200) has the molecular formula C19H29Cl2N5O2S and a molecular weight of 462.45 g/mol. Its IUPAC name is (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
• PubChem CID: 119868200
• Molecular Formula: C19H29Cl2N5O2S
• Molecular Weight: 462.45 g/mol
• Exact Mass: 461.14
• IUPAC Name: (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride
• SMILES: CC(c1nc(-c2cccs2)no1)N1CCN(C(=O)C2(N)CCCCC2)CC1.Cl.Cl
• InChI: InChI=1S/C19H27N5O2S.2ClH/c1-14(17-21-16(22-26-17)15-6-5-13-27-15)23-9-11-24(12-10-23)18(25)19(20)7-3-2-4-8-19;;/h5-6,13-14H,2-4,7-12,20H2,1H3;2*1H
• InChIKey: XDCKSFRDZYSXAE-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 88.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.45
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?

The IUPAC name of (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride (CID 119868200) is (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride.

What is the SMILES notation for (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?

The canonical SMILES for (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride is CC(c1nc(-c2cccs2)no1)N1CCN(C(=O)C2(N)CCCCC2)CC1.Cl.Cl.

What is the InChIKey of (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?

The InChIKey is XDCKSFRDZYSXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2S.2ClH/c1-14(17-21-16(22-26-17)15-6-5-13-27-15)23-9-11-24(12-10-23)18(25)19(20)7-3-2-4-8-19;;/h5-6,13-14H,2-4,7-12,20H2,1H3;2*1H.

What are the key properties of (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride?

(1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 462.45 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (1-aminocyclohexyl)-[4-[1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119868200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).