1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

C18H24FN3O2 — CID 108504673

IUPAC1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H24FN3O2/c1-14-6-8-21(9-7-14)17(23)18(24)22-12-10-20(11-13-22)16-5-3-2-4-15(16)19/h2-5,14H,6-13H2,1H3
InChIKeyGHZMEKFKVXZACF-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.73
Rot. Bonds1

About 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (PubChem CID 108504673) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
PubChem CID108504673
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC Name1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione
SMILESCC1CCN(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)CC1
InChIInChI=1S/C18H24FN3O2/c1-14-6-8-21(9-7-14)17(23)18(24)22-12-10-20(11-13-22)16-5-3-2-4-15(16)19/h2-5,14H,6-13H2,1H3
InChIKeyGHZMEKFKVXZACF-UHFFFAOYSA-N
XLogP1.73
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-fluorophenyl)piperazin-1-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 108521142
1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-1-one
CID 109014531
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-phenylpiperazin-1-yl)ethane-1,2-dione
CID 108532363
cyclopropyl-[4-[4-(2-fluorophenyl)piperazine-1-carbonyl]piperidin-1-yl]methanone
CID 34228816
methyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 112683958
[2-[4-(2-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-(4-methylpiperidin-1-yl)methanone
CID 109323148
2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetohydrazide
CID 54936333
ethyl 2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoacetate
CID 3597509
4-(2-fluorophenyl)-N,N-dimethylpiperazine-1-carboxamide
CID 3757399
(2S)-2-amino-1-[4-(2-fluorophenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119827006
4-(2-fluorophenyl)-N-methoxypiperazine-1-carboxamide
CID 47139754
(E)-3-(2-fluorophenyl)-1-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylprop-2-en-1-one
CID 110298667

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The IUPAC name of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione (CID 108504673) is 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione.
What is the SMILES notation for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The canonical SMILES for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is CC1CCN(C(=O)C(=O)N2CCN(c3ccccc3F)CC2)CC1.
What is the InChIKey of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
The InChIKey is GHZMEKFKVXZACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-14-6-8-21(9-7-14)17(23)18(24)22-12-10-20(11-13-22)16-5-3-2-4-15(16)19/h2-5,14H,6-13H2,1H3.
What are the key properties of 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione?
1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione has a molecular weight of 333.41 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperidin-1-yl)ethane-1,2-dione is sourced from PubChem (CID 108504673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).