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

C22H23N5O3 — CID 47048690

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (PubChem CID 47048690) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
• PubChem CID: 47048690
• Molecular Formula: C22H23N5O3
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.18
• IUPAC Name: 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(-c4nc(C)no4)cc3)C2)nc1
• InChI: InChI=1S/C22H23N5O3/c1-14-5-10-19(23-12-14)25-20(28)18-4-3-11-27(13-18)22(29)17-8-6-16(7-9-17)21-24-15(2)26-30-21/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,23,25,28)
• InChIKey: HOHYJQGJXFTIRK-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 101.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide (CID 47048690) is 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide.

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

The canonical SMILES for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is Cc1ccc(NC(=O)C2CCCN(C(=O)c3ccc(-c4nc(C)no4)cc3)C2)nc1.

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

The InChIKey is HOHYJQGJXFTIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-14-5-10-19(23-12-14)25-20(28)18-4-3-11-27(13-18)22(29)17-8-6-16(7-9-17)21-24-15(2)26-30-21/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,23,25,28).

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

1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl]-N-(5-methyl-2-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 47048690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).