2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone

C20H21FN2O3 — CID 4651067

IUPAC2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)19(24)14-22-10-12-23(13-11-22)20(25)16-2-6-17(21)7-3-16/h2-9H,10-14H2,1H3
InChIKeyVZBYJNLBTSUUHZ-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.47
Rot. Bonds5

About 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (PubChem CID 4651067) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.

Molecular Properties

Compound Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
PubChem CID4651067
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
SMILESCOc1ccc(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)19(24)14-22-10-12-23(13-11-22)20(25)16-2-6-17(21)7-3-16/h2-9H,10-14H2,1H3
InChIKeyVZBYJNLBTSUUHZ-UHFFFAOYSA-N
XLogP2.47
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
2-[4-(4-methoxybenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366218
2-[4-(3-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 1126140
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
3-(4-fluorophenyl)-1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 110611236
[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-(4-methoxyphenyl)methanone;oxalic acid
CID 17384978
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
1-[4-[2-(4-methoxyphenyl)-2-oxoethyl]piperazin-1-yl]butan-1-one
CID 110359021
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241
2-[4-(2-hydroxyethyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 62025523

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The IUPAC name of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone (CID 4651067) is 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone.
What is the SMILES notation for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The canonical SMILES for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is COc1ccc(C(=O)CN2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
The InChIKey is VZBYJNLBTSUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c1-26-18-8-4-15(5-9-18)19(24)14-22-10-12-23(13-11-22)20(25)16-2-6-17(21)7-3-16/h2-9H,10-14H2,1H3.
What are the key properties of 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone?
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone has a molecular weight of 356.40 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone is sourced from PubChem (CID 4651067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).