N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide

C32H36F3N3O2 — CID 142004762

About N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide

N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide (PubChem CID 142004762) has the molecular formula C32H36F3N3O2 and a molecular weight of 551.65 g/mol. Its IUPAC name is N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide
• PubChem CID: 142004762
• Molecular Formula: C32H36F3N3O2
• Molecular Weight: 551.65 g/mol
• Exact Mass: 551.28
• IUPAC Name: N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide
• SMILES: O=C(NC1CCN(CCCCC2(C(O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1
• InChI: InChI=1S/C32H36F3N3O2/c33-32(34,35)22-36-30(40)31(27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)18-8-9-19-38-20-16-24(17-21-38)37-29(39)23-10-2-1-3-11-23/h1-7,10-15,24,30,36,40H,8-9,16-22H2,(H,37,39)
• InChIKey: KYBPVDMORXFPAO-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 64.60 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.65
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide?

The IUPAC name of N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide (CID 142004762) is N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide.

What is the SMILES notation for N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide?

The canonical SMILES for N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide is O=C(NC1CCN(CCCCC2(C(O)NCC(F)(F)F)c3ccccc3-c3ccccc32)CC1)c1ccccc1.

What is the InChIKey of N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide?

The InChIKey is KYBPVDMORXFPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36F3N3O2/c33-32(34,35)22-36-30(40)31(27-14-6-4-12-25(27)26-13-5-7-15-28(26)31)18-8-9-19-38-20-16-24(17-21-38)37-29(39)23-10-2-1-3-11-23/h1-7,10-15,24,30,36,40H,8-9,16-22H2,(H,37,39).

What are the key properties of N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide?

N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide has a molecular weight of 551.65 g/mol, XLogP of 5.49, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[9-[hydroxy-(2,2,2-trifluoroethylamino)methyl]fluoren-9-yl]butyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 142004762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).