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

C14H17FN2O3 — CID 60732940

IUPACmethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)10-16-6-8-17(9-7-16)14(19)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyCTUBGNVCARRHFL-UHFFFAOYSA-N
MW280.30 g/mol
LogP0.76
Rot. Bonds3

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

methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate (PubChem CID 60732940) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
PubChem CID60732940
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Namemethyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C14H17FN2O3/c1-20-13(18)10-16-6-8-17(9-7-16)14(19)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3
InChIKeyCTUBGNVCARRHFL-UHFFFAOYSA-N
XLogP0.76
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 50.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 134001197
methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
CID 63213140
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
methyl 2-[4-(3-amino-4-fluorobenzoyl)piperazin-1-yl]acetate
CID 61114419
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
(4-fluorophenyl)-[4-(2-methylprop-2-enyl)piperazin-1-yl]methanone
CID 47002075
1-[4-(4-fluorobenzoyl)piperazin-1-yl]-3,3-dimethylbutan-2-one
CID 110709736
methyl 2-[4-(4-amino-3-hydroxybenzoyl)piperazin-1-yl]acetate
CID 107074672
methyl 2-[4-(3-amino-4-methylbenzoyl)piperazin-1-yl]acetate
CID 60953023
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 36875241

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate (CID 60732940) is methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate is COC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The InChIKey is CTUBGNVCARRHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-20-13(18)10-16-6-8-17(9-7-16)14(19)11-2-4-12(15)5-3-11/h2-5H,6-10H2,1H3.
What are the key properties of methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate has a molecular weight of 280.30 g/mol, XLogP of 0.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 60732940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).