methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate

C14H17FN2O3 — CID 110365716

IUPACmethyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)17-8-6-16(7-9-17)13(18)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyIZXIKGHGJSIUIZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP1.28
Rot. Bonds2

About methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate

methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate (PubChem CID 110365716) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
PubChem CID110365716
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate
SMILESCOC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c1-20-14(19)17-8-6-16(7-9-17)13(18)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyIZXIKGHGJSIUIZ-UHFFFAOYSA-N
XLogP1.28
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-fluorophenyl)-1-[4-[2-(4-fluorophenyl)acetyl]-1,4-diazepan-1-yl]ethanone
CID 110798689
methyl 4-[2-(4-methylsulfanylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808896
1-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]-3-methylbutan-1-one
CID 110365702
2-(4-fluorophenyl)-1-[4-(4-methoxybenzoyl)piperazin-1-yl]ethanone
CID 55574750
1-[4-[2-(3,4-dimethoxyphenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 108544494
methyl 4-[2-(4-phenoxyphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808860
ethyl 4-[2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetyl]piperazine-1-carboxylate
CID 30283129
methyl 4-[2-(3,4-dimethylphenyl)acetyl]-1,4-diazepane-1-carboxylate
CID 110808832
N-carbamoyl-2-[4-[2-(4-fluorophenyl)acetyl]piperazin-1-yl]acetamide
CID 37404315
1-[4-[2-(4-chlorophenyl)acetyl]-1,4-diazepan-1-yl]-2-(4-fluorophenyl)ethanone
CID 110359111
2-(4-fluorophenyl)-1-[4-(2-hydroxy-2-methylpropyl)piperazin-1-yl]ethanone
CID 63239769
1-[4-[2-(2,5-dimethyl-1H-pyrrol-3-yl)acetyl]piperazin-1-yl]-2-(4-fluorophenyl)ethanone
CID 110802701

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate?
The IUPAC name of methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate (CID 110365716) is methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate?
The canonical SMILES for methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate is COC(=O)N1CCN(C(=O)Cc2ccc(F)cc2)CC1.
What is the InChIKey of methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate?
The InChIKey is IZXIKGHGJSIUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-14(19)17-8-6-16(7-9-17)13(18)10-11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate?
methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate has a molecular weight of 280.30 g/mol, XLogP of 1.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-(4-fluorophenyl)acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110365716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).