3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione

C34H35FN4O3 — CID 177016975

About 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione

3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione (PubChem CID 177016975) has the molecular formula C34H35FN4O3 and a molecular weight of 566.68 g/mol. Its IUPAC name is 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione.

Molecular Properties

• Compound Name: 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
• PubChem CID: 177016975
• Molecular Formula: C34H35FN4O3
• Molecular Weight: 566.68 g/mol
• Exact Mass: 566.27
• IUPAC Name: 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione
• SMILES: CC1(C)CN(Cc2ccc(-c3cc(C4CC4)on3)cc2)CCC1c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1F
• InChI: InChI=1S/C34H35FN4O3/c1-34(2)19-39(18-20-3-5-21(6-4-20)29-16-30(42-38-29)22-7-8-22)14-13-27(34)25-9-11-28-26(32(25)35)15-23(17-36-28)24-10-12-31(40)37-33(24)41/h3-6,9,11,15-17,22,24,27H,7-8,10,12-14,18-19H2,1-2H3,(H,37,40,41)
• InChIKey: LHWLRWDTXUJWFQ-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 88.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	566.68
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	1
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 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione?

The IUPAC name of 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione (CID 177016975) is 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione.

What is the SMILES notation for 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione?

The canonical SMILES for 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione is CC1(C)CN(Cc2ccc(-c3cc(C4CC4)on3)cc2)CCC1c1ccc2ncc(C3CCC(=O)NC3=O)cc2c1F.

What is the InChIKey of 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione?

The InChIKey is LHWLRWDTXUJWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35FN4O3/c1-34(2)19-39(18-20-3-5-21(6-4-20)29-16-30(42-38-29)22-7-8-22)14-13-27(34)25-9-11-28-26(32(25)35)15-23(17-36-28)24-10-12-31(40)37-33(24)41/h3-6,9,11,15-17,22,24,27H,7-8,10,12-14,18-19H2,1-2H3,(H,37,40,41).

What are the key properties of 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione?

3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione has a molecular weight of 566.68 g/mol, XLogP of 6.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[1-[[4-(5-cyclopropyl-1,2-oxazol-3-yl)phenyl]methyl]-3,3-dimethylpiperidin-4-yl]-5-fluoroquinolin-3-yl]piperidine-2,6-dione is sourced from PubChem (CID 177016975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).