N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

C16H22N6O2 — CID 90642397

About N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide

N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 90642397) has the molecular formula C16H22N6O2 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• PubChem CID: 90642397
• Molecular Formula: C16H22N6O2
• Molecular Weight: 330.39 g/mol
• Exact Mass: 330.18
• IUPAC Name: N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide
• SMILES: CC(C)NC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1
• InChI: InChI=1S/C16H22N6O2/c1-11(2)19-16(23)22-7-3-4-12(10-22)8-14-20-15(21-24-14)13-9-17-5-6-18-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,23)
• InChIKey: ZEMNCQNNDSICSZ-UHFFFAOYSA-N
• XLogP: 1.90
• TPSA: 97.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	330.39
LogP ≤ 5	1.90
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?

The IUPAC name of N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide (CID 90642397) is N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide.

What is the SMILES notation for N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?

The canonical SMILES for N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is CC(C)NC(=O)N1CCCC(Cc2nc(-c3cnccn3)no2)C1.

What is the InChIKey of N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?

The InChIKey is ZEMNCQNNDSICSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O2/c1-11(2)19-16(23)22-7-3-4-12(10-22)8-14-20-15(21-24-14)13-9-17-5-6-18-13/h5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,19,23).

What are the key properties of N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide?

N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 90642397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).