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

C17H25Cl2N5O2S — CID 119839823

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

piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (PubChem CID 119839823) has the molecular formula C17H25Cl2N5O2S and a molecular weight of 434.39 g/mol. Its IUPAC name is piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

Molecular Properties

• Compound Name: piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
• PubChem CID: 119839823
• Molecular Formula: C17H25Cl2N5O2S
• Molecular Weight: 434.39 g/mol
• Exact Mass: 433.11
• IUPAC Name: piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride
• SMILES: Cl.Cl.O=C(C1CCCCN1)N1CCN(Cc2nc(-c3cccs3)no2)CC1
• InChI: InChI=1S/C17H23N5O2S.2ClH/c23-17(13-4-1-2-6-18-13)22-9-7-21(8-10-22)12-15-19-16(20-24-15)14-5-3-11-25-14;;/h3,5,11,13,18H,1-2,4,6-10,12H2;2*1H
• InChIKey: AKBMMSPTBCRTER-UHFFFAOYSA-N
• XLogP: 2.43
• TPSA: 74.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.39
LogP ≤ 5	2.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride (CID 119839823) is piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride.

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

The canonical SMILES for piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is Cl.Cl.O=C(C1CCCCN1)N1CCN(Cc2nc(-c3cccs3)no2)CC1.

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

The InChIKey is AKBMMSPTBCRTER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S.2ClH/c23-17(13-4-1-2-6-18-13)22-9-7-21(8-10-22)12-15-19-16(20-24-15)14-5-3-11-25-14;;/h3,5,11,13,18H,1-2,4,6-10,12H2;2*1H.

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

piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride has a molecular weight of 434.39 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-2-yl-[4-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119839823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).