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

C19H27N5O2 — CID 110105830

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

1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (PubChem CID 110105830) has the molecular formula C19H27N5O2 and a molecular weight of 357.46 g/mol. Its IUPAC name is 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• PubChem CID: 110105830
• Molecular Formula: C19H27N5O2
• Molecular Weight: 357.46 g/mol
• Exact Mass: 357.22
• IUPAC Name: 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
• SMILES: CNc1cc(C2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)ccn1
• InChI: InChI=1S/C19H27N5O2/c1-13(2)19-23-22-17(26-19)6-7-18(25)24-10-4-5-15(12-24)14-8-9-21-16(11-14)20-3/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,20,21)
• InChIKey: NBADBXBKIAKPBL-UHFFFAOYSA-N
• XLogP: 2.97
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.46
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one (CID 110105830) is 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one.

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

The canonical SMILES for 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is CNc1cc(C2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)ccn1.

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

The InChIKey is NBADBXBKIAKPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O2/c1-13(2)19-23-22-17(26-19)6-7-18(25)24-10-4-5-15(12-24)14-8-9-21-16(11-14)20-3/h8-9,11,13,15H,4-7,10,12H2,1-3H3,(H,20,21).

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

1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one has a molecular weight of 357.46 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-(methylamino)-4-pyridinyl]piperidin-1-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one is sourced from PubChem (CID 110105830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).