N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide

C35H37FN4O2 — CID 22640125

About N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide

N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide (PubChem CID 22640125) has the molecular formula C35H37FN4O2 and a molecular weight of 564.71 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide.

Molecular Properties

• Compound Name: N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
• PubChem CID: 22640125
• Molecular Formula: C35H37FN4O2
• Molecular Weight: 564.71 g/mol
• Exact Mass: 564.29
• IUPAC Name: N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide
• SMILES: COc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1
• InChI: InChI=1S/C35H37FN4O2/c1-42-33-14-8-13-32(38-33)40-23-21-39(22-24-40)20-7-6-19-35(34(41)37-25-26-15-17-27(36)18-16-26)30-11-4-2-9-28(30)29-10-3-5-12-31(29)35/h2-5,8-18H,6-7,19-25H2,1H3,(H,37,41)
• InChIKey: YESRUXVVMGOHAC-UHFFFAOYSA-N
• XLogP: 5.80
• TPSA: 57.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.71
LogP ≤ 5	5.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?

The IUPAC name of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide (CID 22640125) is N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide.

What is the SMILES notation for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?

The canonical SMILES for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide is COc1cccc(N2CCN(CCCCC3(C(=O)NCc4ccc(F)cc4)c4ccccc4-c4ccccc43)CC2)n1.

What is the InChIKey of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?

The InChIKey is YESRUXVVMGOHAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H37FN4O2/c1-42-33-14-8-13-32(38-33)40-23-21-39(22-24-40)20-7-6-19-35(34(41)37-25-26-15-17-27(36)18-16-26)30-11-4-2-9-28(30)29-10-3-5-12-31(29)35/h2-5,8-18H,6-7,19-25H2,1H3,(H,37,41).

What are the key properties of N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide?

N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide has a molecular weight of 564.71 g/mol, XLogP of 5.80, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-fluorophenyl)methyl]-9-[4-[4-(6-methoxy-2-pyridinyl)piperazin-1-yl]butyl]fluorene-9-carboxamide is sourced from PubChem (CID 22640125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).