N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

C16H22N6O2 — CID 86797425

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (PubChem CID 86797425) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
• PubChem CID: 86797425
• Molecular Formula: C16H22N6O2
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.18
• IUPAC Name: N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
• SMILES: Cc1noc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)n1
• InChI: InChI=1S/C16H22N6O2/c1-13-19-15(24-20-13)5-7-18-16(23)22-10-8-21(9-11-22)12-14-4-2-3-6-17-14/h2-4,6H,5,7-12H2,1H3,(H,18,23)
• InChIKey: BWFIEEAOCGTDMA-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?

The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide (CID 86797425) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide.

What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?

The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is Cc1noc(CCNC(=O)N2CCN(Cc3ccccn3)CC2)n1.

What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?

The InChIKey is BWFIEEAOCGTDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-13-19-15(24-20-13)5-7-18-16(23)22-10-8-21(9-11-22)12-14-4-2-3-6-17-14/h2-4,6H,5,7-12H2,1H3,(H,18,23).

What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide?

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 0.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide is sourced from PubChem (CID 86797425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).