1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione

C25H30FN5O3 — CID 110122458

About 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione

1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione (PubChem CID 110122458) has the molecular formula C25H30FN5O3 and a molecular weight of 467.55 g/mol. Its IUPAC name is 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione
• PubChem CID: 110122458
• Molecular Formula: C25H30FN5O3
• Molecular Weight: 467.55 g/mol
• Exact Mass: 467.23
• IUPAC Name: 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione
• SMILES: CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)CCN2C(=O)CCCC2=O)n1
• InChI: InChI=1S/C25H30FN5O3/c1-29(2)25-27-16-19(17-9-11-18(26)12-10-17)24(28-25)20-6-3-4-14-30(20)23(34)13-15-31-21(32)7-5-8-22(31)33/h9-12,16,20H,3-8,13-15H2,1-2H3
• InChIKey: YHKHRPCCQJHOPN-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 86.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.55
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione?

The IUPAC name of 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione (CID 110122458) is 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione.

What is the SMILES notation for 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione?

The canonical SMILES for 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione is CN(C)c1ncc(-c2ccc(F)cc2)c(C2CCCCN2C(=O)CCN2C(=O)CCCC2=O)n1.

What is the InChIKey of 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione?

The InChIKey is YHKHRPCCQJHOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O3/c1-29(2)25-27-16-19(17-9-11-18(26)12-10-17)24(28-25)20-6-3-4-14-30(20)23(34)13-15-31-21(32)7-5-8-22(31)33/h9-12,16,20H,3-8,13-15H2,1-2H3.

What are the key properties of 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione?

1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione has a molecular weight of 467.55 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[2-[2-(dimethylamino)-5-(4-fluorophenyl)pyrimidin-4-yl]piperidin-1-yl]-3-oxopropyl]piperidine-2,6-dione is sourced from PubChem (CID 110122458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).