[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

C19H19FN2O3 — CID 776701

IUPAC[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-15-6-4-5-14(13-15)18(23)21-9-11-22(12-10-21)19(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3
InChIKeyGMMKKWBZBPIODQ-UHFFFAOYSA-N
MW342.37 g/mol
LogP2.43
Rot. Bonds3

About [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone

[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (PubChem CID 776701) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
PubChem CID776701
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
SMILESCOc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1
InChIInChI=1S/C19H19FN2O3/c1-25-15-6-4-5-14(13-15)18(23)21-9-11-22(12-10-21)19(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3
InChIKeyGMMKKWBZBPIODQ-UHFFFAOYSA-N
XLogP2.43
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(3-methoxybenzoyl)piperazine-1-carbonyl]benzoic acid
CID 113083237
[3-[4-(2-fluorobenzoyl)-1,4-diazepane-1-carbonyl]phenyl] acetate
CID 108543479
(3-methoxyphenyl)-[4-(2-phenoxybenzoyl)piperazin-1-yl]methanone
CID 46546142
[4-(2-fluorobenzoyl)piperazin-1-yl]-[3-(2-methoxyphenyl)phenyl]methanone
CID 134800061
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
azepan-1-yl-(3-methoxyphenyl)methanone
CID 669437
[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-[3-(methoxymethyl)phenyl]methanone
CID 78850073
[4-(2,5-dimethoxyphenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113077801
[4-(2-bromo-5-methoxybenzoyl)-1,4-diazepan-1-yl]-(2-fluorophenyl)methanone
CID 78849945
2-fluoro-6-[4-(3-methoxybenzoyl)piperazin-1-yl]benzonitrile
CID 36724822
(3,4-dimethylphenyl)-[4-(2-fluorobenzoyl)piperazin-1-yl]methanone
CID 110365044
[4-(3-methoxybenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 110798483

Frequently Asked Questions

What is the IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The IUPAC name of [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone (CID 776701) is [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone.
What is the SMILES notation for [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The canonical SMILES for [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is COc1cccc(C(=O)N2CCN(C(=O)c3ccccc3F)CC2)c1.
What is the InChIKey of [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
The InChIKey is GMMKKWBZBPIODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-25-15-6-4-5-14(13-15)18(23)21-9-11-22(12-10-21)19(24)16-7-2-3-8-17(16)20/h2-8,13H,9-12H2,1H3.
What are the key properties of [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone?
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone has a molecular weight of 342.37 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone is sourced from PubChem (CID 776701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).