1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

C20H28N4O2 — CID 124980946

About 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one

1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 124980946) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 124980946
• Molecular Formula: C20H28N4O2
• Molecular Weight: 356.47 g/mol
• Exact Mass: 356.22
• IUPAC Name: 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: Cc1cccc(C[C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1
• InChI: InChI=1S/C20H28N4O2/c1-14(2)20-23-22-18(26-20)9-10-19(25)24-11-5-7-16(13-24)12-17-8-4-6-15(3)21-17/h4,6,8,14,16H,5,7,9-13H2,1-3H3/t16-/m1/s1
• InChIKey: MMORNUQQKJIAAU-MRXNPFEDSA-N
• XLogP: 3.31
• TPSA: 72.12 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The IUPAC name of 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 124980946) is 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

What is the SMILES notation for 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The canonical SMILES for 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is Cc1cccc(C[C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1.

What is the InChIKey of 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

The InChIKey is MMORNUQQKJIAAU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-14(2)20-23-22-18(26-20)9-10-19(25)24-11-5-7-16(13-24)12-17-8-4-6-15(3)21-17/h4,6,8,14,16H,5,7,9-13H2,1-3H3/t16-/m1/s1.

What are the key properties of 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one?

1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 356.47 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3R)-3-[(6-methyl-2-pyridinyl)methyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 124980946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).