5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride

C23H30Cl2FN3O — CID 23363972

IUPAC5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride
SMILESCCc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H28FN3O.2ClH/c1-2-18-5-8-22-20(15-18)16-23(28)27(22)14-13-25-9-11-26(12-10-25)17-19-3-6-21(24)7-4-19;;/h3-8,15H,2,9-14,16-17H2,1H3;2*1H
InChIKeyJSGVPQJTQIIZDQ-UHFFFAOYSA-N
MW454.42 g/mol
LogP3.94
Rot. Bonds6

About 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride

5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride (PubChem CID 23363972) has the molecular formula C23H30Cl2FN3O and a molecular weight of 454.42 g/mol. Its IUPAC name is 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride.

Molecular Properties

Compound Name5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride
PubChem CID23363972
Molecular FormulaC23H30Cl2FN3O
Molecular Weight454.42 g/mol
Exact Mass453.17
IUPAC Name5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride
SMILESCCc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccc(F)cc2)CC1.Cl.Cl
InChIInChI=1S/C23H28FN3O.2ClH/c1-2-18-5-8-22-20(15-18)16-23(28)27(22)14-13-25-9-11-26(12-10-25)17-19-3-6-21(24)7-4-19;;/h3-8,15H,2,9-14,16-17H2,1H3;2*1H
InChIKeyJSGVPQJTQIIZDQ-UHFFFAOYSA-N
XLogP3.94
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.42
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride with MolForge

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Related Compounds

1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-bromo-3H-indol-2-one;dihydrochloride
CID 23363928
1-[2-(4-benzylpiperazin-1-yl)ethyl]-5-methoxy-3H-indol-2-one
CID 23363964
1-[(4-ethylphenyl)methyl]-4-[(4-fluorophenyl)methyl]piperazine
CID 881940
5-ethyl-1-prop-2-ynyl-3H-indol-2-one
CID 84758468
1-[(4-fluorophenyl)methyl]-N-(2-morpholin-4-ylethyl)-2-oxo-3H-indole-5-carboxamide
CID 71840637
1,4,7,10-tetrakis[(4-fluorophenyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102293981
1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
1-[3-(3-aminophenoxy)propyl]-5-ethyl-3H-indol-2-one
CID 84758464
N,1-bis[(4-fluorophenyl)methyl]-2-oxo-3H-indole-5-carboxamide
CID 71840635
(4-fluorophenyl)-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]methanone
CID 24724574
1-[2-(methylamino)ethyl]-5-(methylaminomethyl)-3H-indol-2-one
CID 115195920
1-(4-fluorophenyl)-N-[(1-methyl-2-oxo-3H-indol-5-yl)methyl]methanesulfonamide
CID 110781518

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride?
The IUPAC name of 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride (CID 23363972) is 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride.
What is the SMILES notation for 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride?
The canonical SMILES for 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride is CCc1ccc2c(c1)CC(=O)N2CCN1CCN(Cc2ccc(F)cc2)CC1.Cl.Cl.
What is the InChIKey of 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride?
The InChIKey is JSGVPQJTQIIZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN3O.2ClH/c1-2-18-5-8-22-20(15-18)16-23(28)27(22)14-13-25-9-11-26(12-10-25)17-19-3-6-21(24)7-4-19;;/h3-8,15H,2,9-14,16-17H2,1H3;2*1H.
What are the key properties of 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride?
5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride has a molecular weight of 454.42 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]ethyl]-3H-indol-2-one;dihydrochloride is sourced from PubChem (CID 23363972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).