2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone

C22H23FN2O3 — CID 126780755

IUPAC2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN2O3/c23-18-5-3-4-17(14-18)22(27)25-11-9-24(10-12-25)21(26)15-16-8-13-28-20-7-2-1-6-19(16)20/h1-7,14,16H,8-13,15H2
InChIKeySXCRBNOHNJSGGS-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.07
Rot. Bonds3

About 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone

2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone (PubChem CID 126780755) has the molecular formula C22H23FN2O3 and a molecular weight of 382.44 g/mol. Its IUPAC name is 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
PubChem CID126780755
Molecular FormulaC22H23FN2O3
Molecular Weight382.44 g/mol
Exact Mass382.17
IUPAC Name2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
SMILESO=C(CC1CCOc2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1
InChIInChI=1S/C22H23FN2O3/c23-18-5-3-4-17(14-18)22(27)25-11-9-24(10-12-25)21(26)15-16-8-13-28-20-7-2-1-6-19(16)20/h1-7,14,16H,8-13,15H2
InChIKeySXCRBNOHNJSGGS-UHFFFAOYSA-N
XLogP3.07
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-[(2S)-oxetan-2-yl]propan-1-one
CID 164631101
2-(3,4-dihydro-2H-chromen-4-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 110680477
2-(2-bicyclo[2.2.1]heptanyl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone
CID 47024463
3,5-dihydro-2H-1,4-benzoxazepin-4-yl-(3-fluorophenyl)methanone
CID 110870583
2-(3,4-dihydro-2H-chromen-4-yl)-1-phenylethanone
CID 104769745
[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-(3-fluorophenyl)methanone
CID 753113
[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-[4-(3-fluorobenzoyl)piperazin-1-yl]methanone
CID 41130628
(2R)-4-[2-[(4S)-3,4-dihydro-2H-chromen-4-yl]acetyl]morpholine-2-carboxylic acid
CID 125153787
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1072053
1-[4-(3-fluorobenzoyl)piperazin-1-yl]-3-(4-fluorophenyl)propan-1-one
CID 32523207
3-amino-1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]propan-1-one;hydrochloride
CID 119282235
1-[4-(3-fluorobenzoyl)-1,4-diazepan-1-yl]-3-phenylpropan-1-one
CID 110798353

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone (CID 126780755) is 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone is O=C(CC1CCOc2ccccc21)N1CCN(C(=O)c2cccc(F)c2)CC1.
What is the InChIKey of 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
The InChIKey is SXCRBNOHNJSGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN2O3/c23-18-5-3-4-17(14-18)22(27)25-11-9-24(10-12-25)21(26)15-16-8-13-28-20-7-2-1-6-19(16)20/h1-7,14,16H,8-13,15H2.
What are the key properties of 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone?
2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone has a molecular weight of 382.44 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dihydro-2H-chromen-4-yl)-1-[4-(3-fluorobenzoyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 126780755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).