3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

C22H25N5O2 — CID 119870833

About 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one

3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (PubChem CID 119870833) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
• PubChem CID: 119870833
• Molecular Formula: C22H25N5O2
• Molecular Weight: 391.48 g/mol
• Exact Mass: 391.20
• IUPAC Name: 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
• SMILES: CC(C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)C(N)c1ccccc1
• InChI: InChI=1S/C22H25N5O2/c1-15(19(23)16-7-3-2-4-8-16)22(28)27-13-10-17(11-14-27)21-25-20(26-29-21)18-9-5-6-12-24-18/h2-9,12,15,17,19H,10-11,13-14,23H2,1H3
• InChIKey: IRFMKGSWENBFFC-UHFFFAOYSA-N
• XLogP: 3.17
• TPSA: 98.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.48
LogP ≤ 5	3.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?

The IUPAC name of 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one (CID 119870833) is 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one.

What is the SMILES notation for 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?

The canonical SMILES for 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is CC(C(=O)N1CCC(c2nc(-c3ccccn3)no2)CC1)C(N)c1ccccc1.

What is the InChIKey of 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?

The InChIKey is IRFMKGSWENBFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15(19(23)16-7-3-2-4-8-16)22(28)27-13-10-17(11-14-27)21-25-20(26-29-21)18-9-5-6-12-24-18/h2-9,12,15,17,19H,10-11,13-14,23H2,1H3.

What are the key properties of 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one?

3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one has a molecular weight of 391.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-amino-2-methyl-3-phenyl-1-[4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 119870833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).