N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride

C18H26ClN5O3S — CID 119482272

About N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride

N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride (PubChem CID 119482272) has the molecular formula C18H26ClN5O3S and a molecular weight of 427.96 g/mol. Its IUPAC name is N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
• PubChem CID: 119482272
• Molecular Formula: C18H26ClN5O3S
• Molecular Weight: 427.96 g/mol
• Exact Mass: 427.14
• IUPAC Name: N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride
• SMILES: Cl.NCCNC(=O)C1CCCN(C(=O)CCCc2nc(-c3cccs3)no2)C1
• InChI: InChI=1S/C18H25N5O3S.ClH/c19-8-9-20-18(25)13-4-2-10-23(12-13)16(24)7-1-6-15-21-17(22-26-15)14-5-3-11-27-14;/h3,5,11,13H,1-2,4,6-10,12,19H2,(H,20,25);1H
• InChIKey: PISBTBPBPPNHRJ-UHFFFAOYSA-N
• XLogP: 1.86
• TPSA: 114.35 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.96
LogP ≤ 5	1.86
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride?

The IUPAC name of N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride (CID 119482272) is N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride.

What is the SMILES notation for N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride?

The canonical SMILES for N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride is Cl.NCCNC(=O)C1CCCN(C(=O)CCCc2nc(-c3cccs3)no2)C1.

What is the InChIKey of N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride?

The InChIKey is PISBTBPBPPNHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3S.ClH/c19-8-9-20-18(25)13-4-2-10-23(12-13)16(24)7-1-6-15-21-17(22-26-15)14-5-3-11-27-14;/h3,5,11,13H,1-2,4,6-10,12,19H2,(H,20,25);1H.

What are the key properties of N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride?

N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 427.96 g/mol, XLogP of 1.86, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-aminoethyl)-1-[4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanoyl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119482272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).