N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

C20H25ClN6O2 — CID 120936430

About N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (PubChem CID 120936430) has the molecular formula C20H25ClN6O2 and a molecular weight of 416.91 g/mol. Its IUPAC name is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

Molecular Properties

• Compound Name: N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
• PubChem CID: 120936430
• Molecular Formula: C20H25ClN6O2
• Molecular Weight: 416.91 g/mol
• Exact Mass: 416.17
• IUPAC Name: N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride
• SMILES: CC(NC(=O)C1(n2cccn2)CCNCC1)c1noc(Cc2ccccc2)n1.Cl
• InChI: InChI=1S/C20H24N6O2.ClH/c1-15(18-24-17(28-25-18)14-16-6-3-2-4-7-16)23-19(27)20(8-11-21-12-9-20)26-13-5-10-22-26;/h2-7,10,13,15,21H,8-9,11-12,14H2,1H3,(H,23,27);1H
• InChIKey: GMGYULJXYZZDIO-UHFFFAOYSA-N
• XLogP: 2.23
• TPSA: 97.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.91
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?

The IUPAC name of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride (CID 120936430) is N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride.

What is the SMILES notation for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?

The canonical SMILES for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is CC(NC(=O)C1(n2cccn2)CCNCC1)c1noc(Cc2ccccc2)n1.Cl.

What is the InChIKey of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?

The InChIKey is GMGYULJXYZZDIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O2.ClH/c1-15(18-24-17(28-25-18)14-16-6-3-2-4-7-16)23-19(27)20(8-11-21-12-9-20)26-13-5-10-22-26;/h2-7,10,13,15,21H,8-9,11-12,14H2,1H3,(H,23,27);1H.

What are the key properties of N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride?

N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride has a molecular weight of 416.91 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(5-benzyl-1,2,4-oxadiazol-3-yl)ethyl]-4-pyrazol-1-ylpiperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 120936430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).