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

C16H21FN2O3 — CID 134001197

IUPACpropan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3/c1-12(2)22-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyIOFMCHKSFNUCIY-UHFFFAOYSA-N
MW308.35 g/mol
LogP1.54
Rot. Bonds4

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

propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate (PubChem CID 134001197) has the molecular formula C16H21FN2O3 and a molecular weight of 308.35 g/mol. Its IUPAC name is propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
PubChem CID134001197
Molecular FormulaC16H21FN2O3
Molecular Weight308.35 g/mol
Exact Mass308.15
IUPAC Namepropan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
SMILESCC(C)OC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C16H21FN2O3/c1-12(2)22-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3
InChIKeyIOFMCHKSFNUCIY-UHFFFAOYSA-N
XLogP1.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.35
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate
CID 60732940
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-fluorophenyl)ethanone
CID 110358942
(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
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methoxyphenyl)ethanone
CID 4651067
2-[4-(4-fluorobenzoyl)-1,4-diazepan-1-yl]acetic acid
CID 62824800
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-phenylethanone
CID 110366210
N-[1-(4-bromophenyl)ethyl]-2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetamide
CID 43055545
[4-[(2R)-3-ethoxy-2-hydroxypropyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 95322537
2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetonitrile
CID 28705306
ethyl 2-[4-(4-aminobenzoyl)piperazin-1-yl]acetate
CID 166436255
methyl 2-[4-(4-fluoro-3-methylbenzoyl)piperazin-1-yl]acetate
CID 63213140

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate (CID 134001197) is propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate is CC(C)OC(=O)CN1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
The InChIKey is IOFMCHKSFNUCIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O3/c1-12(2)22-15(20)11-18-7-9-19(10-8-18)16(21)13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3.
What are the key properties of propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate?
propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate has a molecular weight of 308.35 g/mol, XLogP of 1.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[4-(4-fluorobenzoyl)piperazin-1-yl]acetate is sourced from PubChem (CID 134001197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).