1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole

C26H28FN3O — CID 56640868

IUPAC1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
SMILESFc1ccc(N2CCN(CCCCn3cc(-c4ccoc4)c4ccccc43)CC2)cc1
InChIInChI=1S/C26H28FN3O/c27-22-7-9-23(10-8-22)29-16-14-28(15-17-29)12-3-4-13-30-19-25(21-11-18-31-20-21)24-5-1-2-6-26(24)30/h1-2,5-11,18-20H,3-4,12-17H2
InChIKeyPEMATLYHNQVAPX-UHFFFAOYSA-N
MW417.53 g/mol
LogP5.64
Rot. Bonds7

About 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole

1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole (PubChem CID 56640868) has the molecular formula C26H28FN3O and a molecular weight of 417.53 g/mol. Its IUPAC name is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole.

Molecular Properties

Compound Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
PubChem CID56640868
Molecular FormulaC26H28FN3O
Molecular Weight417.53 g/mol
Exact Mass417.22
IUPAC Name1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole
SMILESFc1ccc(N2CCN(CCCCn3cc(-c4ccoc4)c4ccccc43)CC2)cc1
InChIInChI=1S/C26H28FN3O/c27-22-7-9-23(10-8-22)29-16-14-28(15-17-29)12-3-4-13-30-19-25(21-11-18-31-20-21)24-5-1-2-6-26(24)30/h1-2,5-11,18-20H,3-4,12-17H2
InChIKeyPEMATLYHNQVAPX-UHFFFAOYSA-N
XLogP5.64
TPSA24.55 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.53
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-fluorophenyl)-3-[4-(4-phenylpiperazin-1-yl)butyl]indole
CID 11407673
1-[1-[4-[1-(4-fluorophenyl)azepan-4-yl]butyl]indol-3-yl]ethanone
CID 143502496
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrrole-2,5-diol
CID 54223521
3-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]pyrimido[5,4-c]quinolin-4-one;hydrochloride
CID 56659246
1-benzyl-4-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]piperazine
CID 171911015
(4-fluorophenyl)-[1-(2-morpholin-4-ylethyl)indol-3-yl]methanone
CID 170857357
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-N'-(2-morpholin-4-ylethyl)oxamide
CID 29401175
3-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]pyrimido[5,4-c]quinolin-4-one;dihydrochloride
CID 90664691
N-[2-[4-(4-fluorophenyl)piperazin-1-yl]ethyl]-2-(9-oxoacridin-10-yl)acetamide
CID 39052113
1-[5-[4-(4-fluorophenyl)piperazin-1-yl]pentyl]-6,7-dihydro-5H-indol-4-one
CID 67313523
1-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-[2-(2-methylpropyl)-1-oxoisoquinolin-4-yl]urea
CID 20924472
1-[4-[4-(4-chlorophenyl)piperazin-1-yl]butyl]indole
CID 90182659

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole?
The IUPAC name of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole (CID 56640868) is 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole.
What is the SMILES notation for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole?
The canonical SMILES for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole is Fc1ccc(N2CCN(CCCCn3cc(-c4ccoc4)c4ccccc43)CC2)cc1.
What is the InChIKey of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole?
The InChIKey is PEMATLYHNQVAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O/c27-22-7-9-23(10-8-22)29-16-14-28(15-17-29)12-3-4-13-30-19-25(21-11-18-31-20-21)24-5-1-2-6-26(24)30/h1-2,5-11,18-20H,3-4,12-17H2.
What are the key properties of 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole?
1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole has a molecular weight of 417.53 g/mol, XLogP of 5.64, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(4-fluorophenyl)piperazin-1-yl]butyl]-3-(furan-3-yl)indole is sourced from PubChem (CID 56640868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).