3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride

C24H28ClFN2O2 — CID 45261133

IUPAC3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O2.ClH/c25-20-9-7-18(8-10-20)23(28)6-3-11-26-12-14-27(15-13-26)17-19-16-24(29)22-5-2-1-4-21(19)22;/h1-2,4-5,7-10,19H,3,6,11-17H2;1H
InChIKeyXLZOYLQMIGEFGG-UHFFFAOYSA-N
MW430.95 g/mol
LogP4.20
Rot. Bonds7

About 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride

3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride (PubChem CID 45261133) has the molecular formula C24H28ClFN2O2 and a molecular weight of 430.95 g/mol. Its IUPAC name is 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride.

Molecular Properties

Compound Name3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride
PubChem CID45261133
Molecular FormulaC24H28ClFN2O2
Molecular Weight430.95 g/mol
Exact Mass430.18
IUPAC Name3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride
SMILESCl.O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1
InChIInChI=1S/C24H27FN2O2.ClH/c25-20-9-7-18(8-10-20)23(28)6-3-11-26-12-14-27(15-13-26)17-19-16-24(29)22-5-2-1-4-21(19)22;/h1-2,4-5,7-10,19H,3,6,11-17H2;1H
InChIKeyXLZOYLQMIGEFGG-UHFFFAOYSA-N
XLogP4.20
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.95
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride with MolForge

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Related Compounds

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CID 22990894
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CID 13277351
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CID 3045199
4-(4-ethylpiperidin-1-yl)-1-(4-fluorophenyl)butan-1-one
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CID 70382049
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CID 11058213
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CID 174456400
1-(4-fluorophenyl)-4-(2-phenylmorpholin-4-yl)butan-1-one
CID 2893561
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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride?
The IUPAC name of 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride (CID 45261133) is 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride.
What is the SMILES notation for 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride?
The canonical SMILES for 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride is Cl.O=C(CCCN1CCN(CC2CC(=O)c3ccccc32)CC1)c1ccc(F)cc1.
What is the InChIKey of 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride?
The InChIKey is XLZOYLQMIGEFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN2O2.ClH/c25-20-9-7-18(8-10-20)23(28)6-3-11-26-12-14-27(15-13-26)17-19-16-24(29)22-5-2-1-4-21(19)22;/h1-2,4-5,7-10,19H,3,6,11-17H2;1H.
What are the key properties of 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride?
3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride has a molecular weight of 430.95 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(4-fluorophenyl)-4-oxobutyl]piperazin-1-yl]methyl]-2,3-dihydroinden-1-one;hydrochloride is sourced from PubChem (CID 45261133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).