N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide

C21H23F2N3O2 — CID 108964923

IUPACN-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O2/c1-21(2,19(27)24-17-7-3-15(22)4-8-17)20(28)26-13-11-25(12-14-26)18-9-5-16(23)6-10-18/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyADHSGOOIFKORLY-UHFFFAOYSA-N
MW387.43 g/mol
LogP3.28
Rot. Bonds4

About N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide

N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide (PubChem CID 108964923) has the molecular formula C21H23F2N3O2 and a molecular weight of 387.43 g/mol. Its IUPAC name is N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
PubChem CID108964923
Molecular FormulaC21H23F2N3O2
Molecular Weight387.43 g/mol
Exact Mass387.18
IUPAC NameN-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide
SMILESCC(C)(C(=O)Nc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1
InChIInChI=1S/C21H23F2N3O2/c1-21(2,19(27)24-17-7-3-15(22)4-8-17)20(28)26-13-11-25(12-14-26)18-9-5-16(23)6-10-18/h3-10H,11-14H2,1-2H3,(H,24,27)
InChIKeyADHSGOOIFKORLY-UHFFFAOYSA-N
XLogP3.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxo-N-propan-2-ylpropanamide
CID 108957222
3-[4-(2-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-(4-methylphenyl)-3-oxopropanamide
CID 108965494
3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-N-[(2-methylphenyl)methyl]-3-oxopropanamide
CID 108961688
4-(4-fluorophenyl)-N-[4-(trifluoromethyl)phenyl]piperazine-1-carboxamide
CID 4614489
2-amino-2-cyclopropyl-1-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 60867515
2,2-dimethyl-N-(4-methylphenyl)-N'-(4-pyrrolidin-1-ylphenyl)propanediamide
CID 108967489
1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methyl-2-(4-methylphenyl)propan-1-one
CID 113198059
N-[4-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]phenyl]acetamide
CID 5041262
2,2-dimethyl-3-(4-methylpiperazin-1-yl)-3-oxo-N-phenylpropanamide
CID 108960744
4-fluoro-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983940
N'-(4-fluorophenyl)-N-(4-pyrrolidin-1-ylphenyl)oxamide
CID 108987038
2-(4-chlorophenyl)-1-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 113197527

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide?
The IUPAC name of N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide (CID 108964923) is N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide.
What is the SMILES notation for N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide?
The canonical SMILES for N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide is CC(C)(C(=O)Nc1ccc(F)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1.
What is the InChIKey of N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide?
The InChIKey is ADHSGOOIFKORLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O2/c1-21(2,19(27)24-17-7-3-15(22)4-8-17)20(28)26-13-11-25(12-14-26)18-9-5-16(23)6-10-18/h3-10H,11-14H2,1-2H3,(H,24,27).
What are the key properties of N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide?
N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide has a molecular weight of 387.43 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]-2,2-dimethyl-3-oxopropanamide is sourced from PubChem (CID 108964923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).