3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one

C29H30FN3O2 — CID 11754523

About 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one (PubChem CID 11754523) has the molecular formula C29H30FN3O2 and a molecular weight of 471.58 g/mol. Its IUPAC name is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one.

Molecular Properties

• Compound Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one
• PubChem CID: 11754523
• Molecular Formula: C29H30FN3O2
• Molecular Weight: 471.58 g/mol
• Exact Mass: 471.23
• IUPAC Name: 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one
• SMILES: O=c1oc2cc3c(cc2n1CCCN1CCN(c2ccc(F)cc2)CC1)C(c1ccccc1)CC3
• InChI: InChI=1S/C29H30FN3O2/c30-23-8-10-24(11-9-23)32-17-15-31(16-18-32)13-4-14-33-27-20-26-22(19-28(27)35-29(33)34)7-12-25(26)21-5-2-1-3-6-21/h1-3,5-6,8-11,19-20,25H,4,7,12-18H2
• InChIKey: QDLVXEUFAUYPFL-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 41.62 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	471.58
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one?

The IUPAC name of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one (CID 11754523) is 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one.

What is the SMILES notation for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one?

The canonical SMILES for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one is O=c1oc2cc3c(cc2n1CCCN1CCN(c2ccc(F)cc2)CC1)C(c1ccccc1)CC3.

What is the InChIKey of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one?

The InChIKey is QDLVXEUFAUYPFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN3O2/c30-23-8-10-24(11-9-23)32-17-15-31(16-18-32)13-4-14-33-27-20-26-22(19-28(27)35-29(33)34)7-12-25(26)21-5-2-1-3-6-21/h1-3,5-6,8-11,19-20,25H,4,7,12-18H2.

What are the key properties of 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one?

3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one has a molecular weight of 471.58 g/mol, XLogP of 5.02, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-5-phenyl-6,7-dihydro-5H-cyclopenta[f][1,3]benzoxazol-2-one is sourced from PubChem (CID 11754523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).