3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one

C23H25FN2O — CID 22012200

IUPAC3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one
SMILESO=C1N=c2ccccc2=C1CCCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O/c24-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-3-6-21-20-5-1-2-7-22(20)25-23(21)27/h1-2,5,7-11,18H,3-4,6,12-16H2
InChIKeyLOYDXBAFBVMXSN-UHFFFAOYSA-N
MW364.46 g/mol
LogP3.19
Rot. Bonds6

About 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one

3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one (PubChem CID 22012200) has the molecular formula C23H25FN2O and a molecular weight of 364.46 g/mol. Its IUPAC name is 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one.

Molecular Properties

Compound Name3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one
PubChem CID22012200
Molecular FormulaC23H25FN2O
Molecular Weight364.46 g/mol
Exact Mass364.20
IUPAC Name3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one
SMILESO=C1N=c2ccccc2=C1CCCCN1CCC(c2ccc(F)cc2)CC1
InChIInChI=1S/C23H25FN2O/c24-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-3-6-21-20-5-1-2-7-22(20)25-23(21)27/h1-2,5,7-11,18H,3-4,6,12-16H2
InChIKeyLOYDXBAFBVMXSN-UHFFFAOYSA-N
XLogP3.19
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.46
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one?
The IUPAC name of 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one (CID 22012200) is 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one.
What is the SMILES notation for 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one?
The canonical SMILES for 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one is O=C1N=c2ccccc2=C1CCCCN1CCC(c2ccc(F)cc2)CC1.
What is the InChIKey of 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one?
The InChIKey is LOYDXBAFBVMXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O/c24-19-10-8-17(9-11-19)18-12-15-26(16-13-18)14-4-3-6-21-20-5-1-2-7-22(20)25-23(21)27/h1-2,5,7-11,18H,3-4,6,12-16H2.
What are the key properties of 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one?
3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one has a molecular weight of 364.46 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(4-fluorophenyl)piperidin-1-yl]butyl]indol-2-one is sourced from PubChem (CID 22012200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).