1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one

C21H23FN2O3 — CID 110346352

IUPAC1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23FN2O3/c1-21(2,27-16-8-4-3-5-9-16)20(26)24-14-12-23(13-15-24)19(25)17-10-6-7-11-18(17)22/h3-11H,12-15H2,1-2H3
InChIKeyDHCGQOXKFUNLFK-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.97
Rot. Bonds4

About 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one

1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one (PubChem CID 110346352) has the molecular formula C21H23FN2O3 and a molecular weight of 370.42 g/mol. Its IUPAC name is 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one.

Molecular Properties

Compound Name1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
PubChem CID110346352
Molecular FormulaC21H23FN2O3
Molecular Weight370.42 g/mol
Exact Mass370.17
IUPAC Name1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
SMILESCC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2F)CC1
InChIInChI=1S/C21H23FN2O3/c1-21(2,27-16-8-4-3-5-9-16)20(26)24-14-12-23(13-15-24)19(25)17-10-6-7-11-18(17)22/h3-11H,12-15H2,1-2H3
InChIKeyDHCGQOXKFUNLFK-UHFFFAOYSA-N
XLogP2.97
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-methyl-2-phenoxypropan-1-one
CID 110346348
1-[4-(4-chlorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one
CID 110346370
[4-(2-fluorobenzoyl)piperazin-1-yl]-phenylmethanone
CID 776715
N,N-diethyl-4-(2-methyl-2-phenoxypropanoyl)piperazine-1-carboxamide
CID 110346381
[4-(2-fluorobenzoyl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 776701
1-[4-(2-fluorobenzoyl)-1,4-diazepan-1-yl]-2-[4-(trifluoromethoxy)phenyl]ethanone
CID 78880225
4-(2-fluorobenzoyl)piperazine-1-carbohydrazide
CID 82304393
methyl 4-(2-fluorobenzoyl)-1,4-diazepane-1-carboxylate
CID 110798338
[4-(2,5-dichlorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 108533710
[4-(2,6-difluorophenyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 113081228
[4-(2,5-difluorobenzoyl)piperazin-1-yl]-(2-fluorophenyl)methanone
CID 33466238
(2-fluorophenyl)-[4-(5-methyl-2-phenyltriazole-4-carbonyl)piperazin-1-yl]methanone
CID 30752856

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The IUPAC name of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one (CID 110346352) is 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one.
What is the SMILES notation for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The canonical SMILES for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one is CC(C)(Oc1ccccc1)C(=O)N1CCN(C(=O)c2ccccc2F)CC1.
What is the InChIKey of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
The InChIKey is DHCGQOXKFUNLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O3/c1-21(2,27-16-8-4-3-5-9-16)20(26)24-14-12-23(13-15-24)19(25)17-10-6-7-11-18(17)22/h3-11H,12-15H2,1-2H3.
What are the key properties of 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one?
1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one has a molecular weight of 370.42 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-fluorobenzoyl)piperazin-1-yl]-2-methyl-2-phenoxypropan-1-one is sourced from PubChem (CID 110346352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).