2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

C25H32FN3O2 — CID 36856314

IUPAC2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)c(F)c1
InChIInChI=1S/C25H32FN3O2/c1-18(2)21-6-4-20(5-7-21)10-11-27-25(31)17-28-12-14-29(15-13-28)24-9-8-22(19(3)30)16-23(24)26/h4-9,16,18H,10-15,17H2,1-3H3,(H,27,31)
InChIKeyYKVNCASIGBDOAW-UHFFFAOYSA-N
MW425.55 g/mol
LogP3.63
Rot. Bonds8

About 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (PubChem CID 36856314) has the molecular formula C25H32FN3O2 and a molecular weight of 425.55 g/mol. Its IUPAC name is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
PubChem CID36856314
Molecular FormulaC25H32FN3O2
Molecular Weight425.55 g/mol
Exact Mass425.25
IUPAC Name2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
SMILESCC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)c(F)c1
InChIInChI=1S/C25H32FN3O2/c1-18(2)21-6-4-20(5-7-21)10-11-27-25(31)17-28-12-14-29(15-13-28)24-9-8-22(19(3)30)16-23(24)26/h4-9,16,18H,10-15,17H2,1-3H3,(H,27,31)
InChIKeyYKVNCASIGBDOAW-UHFFFAOYSA-N
XLogP3.63
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(ethylcarbamoyl)acetamide
CID 26383070
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 34915411
N-[2-(4-fluorophenyl)ethyl]-2-[4-(4-propan-2-ylphenyl)sulfonylpiperazin-1-yl]acetamide
CID 35096313
2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 9131399
2-(4-cyclopentylpiperazin-1-yl)-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 34423625
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 27150831
methyl 4-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]methyl]benzoate
CID 26382410
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 26383061
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-(3-chloro-2-methylphenyl)acetamide
CID 34915311
2-[4-[(5-methyl-1,2-oxazol-3-yl)methyl]piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide
CID 8994370
4-(4-acetyl-2-fluorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]piperazine-1-carboxamide
CID 27534721
2-[4-(4-chloro-2-nitrophenyl)piperazin-1-yl]-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 38516128

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The IUPAC name of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide (CID 36856314) is 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is CC(=O)c1ccc(N2CCN(CC(=O)NCCc3ccc(C(C)C)cc3)CC2)c(F)c1.
What is the InChIKey of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
The InChIKey is YKVNCASIGBDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN3O2/c1-18(2)21-6-4-20(5-7-21)10-11-27-25(31)17-28-12-14-29(15-13-28)24-9-8-22(19(3)30)16-23(24)26/h4-9,16,18H,10-15,17H2,1-3H3,(H,27,31).
What are the key properties of 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide?
2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide has a molecular weight of 425.55 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-N-[2-(4-propan-2-ylphenyl)ethyl]acetamide is sourced from PubChem (CID 36856314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).