(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone

C25H24FN3O3 — CID 46472653

IUPAC(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-21-12-10-20(11-13-21)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)24(30)18-6-8-19(26)9-7-18/h2-13,27H,14-17H2,1H3
InChIKeyALTAROADVZNTSD-UHFFFAOYSA-N
MW433.48 g/mol
LogP4.18
Rot. Bonds5

About (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone

(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone (PubChem CID 46472653) has the molecular formula C25H24FN3O3 and a molecular weight of 433.48 g/mol. Its IUPAC name is (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
PubChem CID46472653
Molecular FormulaC25H24FN3O3
Molecular Weight433.48 g/mol
Exact Mass433.18
IUPAC Name(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone
SMILESCOc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1
InChIInChI=1S/C25H24FN3O3/c1-32-21-12-10-20(11-13-21)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)24(30)18-6-8-19(26)9-7-18/h2-13,27H,14-17H2,1H3
InChIKeyALTAROADVZNTSD-UHFFFAOYSA-N
XLogP4.18
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.48
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]-(4-methoxyphenyl)methanone
CID 38472427
[4-(5-fluoro-2-methoxybenzoyl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110802471
1-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52612933
[4-(1-aminoethyl)piperidin-1-yl]-[2-(4-methoxyanilino)phenyl]methanone;hydrochloride
CID 119517512
3,9-diazabicyclo[4.2.1]nonan-3-yl-[2-(4-methoxyanilino)phenyl]methanone
CID 119635753
[2-(4-fluoroanilino)phenyl]-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 30890047
1-[4-[2-[4-(difluoromethoxy)anilino]benzoyl]piperazin-1-yl]ethanone
CID 51210779
[4-(4-methoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 3150576
(3R)-1-[2-(4-methoxyanilino)benzoyl]pyrrolidine-3-carboxylic acid
CID 124688795
(4-methoxyphenyl)-[4-(2-sulfanylbenzoyl)piperazin-1-yl]methanone
CID 108533518
[4-(2-anilinobenzoyl)piperazin-1-yl]-(3,4-difluorophenyl)methanone
CID 46399270
(2,2-dimethylmorpholin-4-yl)-[2-(4-methoxyanilino)phenyl]methanone
CID 86991464

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone?
The IUPAC name of (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone (CID 46472653) is (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone.
What is the SMILES notation for (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone?
The canonical SMILES for (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone is COc1ccc(Nc2ccccc2C(=O)N2CCN(C(=O)c3ccc(F)cc3)CC2)cc1.
What is the InChIKey of (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone?
The InChIKey is ALTAROADVZNTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O3/c1-32-21-12-10-20(11-13-21)27-23-5-3-2-4-22(23)25(31)29-16-14-28(15-17-29)24(30)18-6-8-19(26)9-7-18/h2-13,27H,14-17H2,1H3.
What are the key properties of (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone?
(4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone has a molecular weight of 433.48 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-[4-[2-(4-methoxyanilino)benzoyl]piperazin-1-yl]methanone is sourced from PubChem (CID 46472653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).