(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C16H26N6O2 — CID 129483683

About (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129483683) has the molecular formula C16H26N6O2 and a molecular weight of 334.42 g/mol. Its IUPAC name is (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

• Compound Name: (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• PubChem CID: 129483683
• Molecular Formula: C16H26N6O2
• Molecular Weight: 334.42 g/mol
• Exact Mass: 334.21
• IUPAC Name: (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
• SMILES: CC(C)c1noc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1
• InChI: InChI=1S/C16H26N6O2/c1-11(2)15-17-14(24-19-15)9-21-7-5-6-16(23,10-21)13-8-22(12(3)4)20-18-13/h8,11-12,23H,5-7,9-10H2,1-4H3/t16-/m1/s1
• InChIKey: UBKZOWIBQGMFOU-MRXNPFEDSA-N
• XLogP: 1.85
• TPSA: 93.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	334.42
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The IUPAC name of (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129483683) is (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

What is the SMILES notation for (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The canonical SMILES for (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)c1noc(CN2CCC[C@](O)(c3cn(C(C)C)nn3)C2)n1.

What is the InChIKey of (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

The InChIKey is UBKZOWIBQGMFOU-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H26N6O2/c1-11(2)15-17-14(24-19-15)9-21-7-5-6-16(23,10-21)13-8-22(12(3)4)20-18-13/h8,11-12,23H,5-7,9-10H2,1-4H3/t16-/m1/s1.

What are the key properties of (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?

(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 334.42 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129483683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).