1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone

C21H23FN2O3 — CID 110804301

IUPAC1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-2-27-19-8-6-17(7-9-19)21(26)24-12-10-23(11-13-24)20(25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyRNSMGVWBZGHRLJ-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.75
Rot. Bonds5

About 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone

1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone (PubChem CID 110804301) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
PubChem CID110804301
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
SMILESCCOc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C21H23FN2O3/c1-2-27-19-8-6-17(7-9-19)21(26)24-12-10-23(11-13-24)20(25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3
InChIKeyRNSMGVWBZGHRLJ-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110808271
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 38388248
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110817138
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
2-(2,5-dimethyl-1H-pyrrol-3-yl)-1-[4-(4-ethoxybenzoyl)piperazin-1-yl]ethanone
CID 110815172
1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 48868563
2-(4-ethoxyphenyl)-1-[4-(4-propan-2-ylbenzoyl)piperazin-1-yl]ethanone
CID 108569229
1-[4-(2-ethoxyphenyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 113077388
1-[4-[2-(3-fluorophenoxy)acetyl]piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110818928
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-(1H-pyrrol-3-yl)ethanone
CID 110816661
2-(3-chlorophenyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 110818175
N-[1-[2-(4-ethoxyphenyl)acetyl]piperidin-4-yl]-3-fluorobenzamide
CID 108557500

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The IUPAC name of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone (CID 110804301) is 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone.
What is the SMILES notation for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The canonical SMILES for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone is CCOc1ccc(C(=O)N2CCN(C(=O)Cc3cccc(F)c3)CC2)cc1.
What is the InChIKey of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
The InChIKey is RNSMGVWBZGHRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-2-27-19-8-6-17(7-9-19)21(26)24-12-10-23(11-13-24)20(25)15-16-4-3-5-18(22)14-16/h3-9,14H,2,10-13,15H2,1H3.
What are the key properties of 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone?
1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone has a molecular weight of 370.42 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-ethoxybenzoyl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone is sourced from PubChem (CID 110804301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).