N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide

C23H26N4O4 — CID 53023537

About N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide

N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide (PubChem CID 53023537) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide
• PubChem CID: 53023537
• Molecular Formula: C23H26N4O4
• Molecular Weight: 422.49 g/mol
• Exact Mass: 422.20
• IUPAC Name: N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide
• SMILES: CC(C)C(NC(=O)c1ccco1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1
• InChI: InChI=1S/C23H26N4O4/c1-15(2)19(24-21(28)18-9-6-14-30-18)23(29)27-12-10-17(11-13-27)22-25-20(26-31-22)16-7-4-3-5-8-16/h3-9,14-15,17,19H,10-13H2,1-2H3,(H,24,28)
• InChIKey: SNZHGHBGZXDZKO-UHFFFAOYSA-N
• XLogP: 3.49
• TPSA: 101.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.49
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide?

The IUPAC name of N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide (CID 53023537) is N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide.

What is the SMILES notation for N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide?

The canonical SMILES for N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide is CC(C)C(NC(=O)c1ccco1)C(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1.

What is the InChIKey of N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide?

The InChIKey is SNZHGHBGZXDZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-15(2)19(24-21(28)18-9-6-14-30-18)23(29)27-12-10-17(11-13-27)22-25-20(26-31-22)16-7-4-3-5-8-16/h3-9,14-15,17,19H,10-13H2,1-2H3,(H,24,28).

What are the key properties of N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide?

N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide has a molecular weight of 422.49 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-methyl-1-oxo-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-2-yl]furan-2-carboxamide is sourced from PubChem (CID 53023537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).