1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

C21H32N6O2 — CID 20929284

About 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide

1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (PubChem CID 20929284) has the molecular formula C21H32N6O2 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
• PubChem CID: 20929284
• Molecular Formula: C21H32N6O2
• Molecular Weight: 400.53 g/mol
• Exact Mass: 400.26
• IUPAC Name: 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide
• SMILES: Cc1noc2ncnc(N3CCC(C(=O)NCCCN4CCCCC4C)CC3)c12
• InChI: InChI=1S/C21H32N6O2/c1-15-6-3-4-10-26(15)11-5-9-22-20(28)17-7-12-27(13-8-17)19-18-16(2)25-29-21(18)24-14-23-19/h14-15,17H,3-13H2,1-2H3,(H,22,28)
• InChIKey: PKFXKHABVNRVBA-UHFFFAOYSA-N
• XLogP: 2.52
• TPSA: 87.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	400.53
LogP ≤ 5	2.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?

The IUPAC name of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide (CID 20929284) is 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is Cc1noc2ncnc(N3CCC(C(=O)NCCCN4CCCCC4C)CC3)c12.

What is the InChIKey of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?

The InChIKey is PKFXKHABVNRVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O2/c1-15-6-3-4-10-26(15)11-5-9-22-20(28)17-7-12-27(13-8-17)19-18-16(2)25-29-21(18)24-14-23-19/h14-15,17H,3-13H2,1-2H3,(H,22,28).

What are the key properties of 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide?

1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide has a molecular weight of 400.53 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]piperidine-4-carboxamide is sourced from PubChem (CID 20929284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).