2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid

C20H18F2N2O4 — CID 110284411

IUPAC2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(Cc2ccccc2F)CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O4/c21-15-7-5-13(6-8-15)19(27)24-10-9-23(20(28)17(24)11-18(25)26)12-14-3-1-2-4-16(14)22/h1-8,17H,9-12H2,(H,25,26)
InChIKeyBKFJLGGZPMRBPJ-UHFFFAOYSA-N
MW388.37 g/mol
LogP2.29
Rot. Bonds5

About 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid

2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284411) has the molecular formula C20H18F2N2O4 and a molecular weight of 388.37 g/mol. Its IUPAC name is 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284411
Molecular FormulaC20H18F2N2O4
Molecular Weight388.37 g/mol
Exact Mass388.12
IUPAC Name2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESO=C(O)CC1C(=O)N(Cc2ccccc2F)CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C20H18F2N2O4/c21-15-7-5-13(6-8-15)19(27)24-10-9-23(20(28)17(24)11-18(25)26)12-14-3-1-2-4-16(14)22/h1-8,17H,9-12H2,(H,25,26)
InChIKeyBKFJLGGZPMRBPJ-UHFFFAOYSA-N
XLogP2.29
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
2-[4-[(2-fluorophenyl)methyl]-3-oxo-1-propylpiperazin-2-yl]acetic acid
CID 110284176
2-[1-benzoyl-4-(cyclobutylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284320
2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284258
2-(1-benzoyl-4-methyl-3-oxopiperazin-2-yl)acetic acid
CID 110284310
2-[4-[(3,5-difluorophenyl)methyl]-3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetic acid
CID 110284427
2-[4-[(3,5-difluorophenyl)methyl]-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284445
N-(2-aminoethyl)-1-benzoyl-3-(4-fluorobenzoyl)imidazolidine-2-carboxamide
CID 23770863
2-[4-[(2-chlorophenyl)methyl]-1-methylsulfonyl-3-oxopiperazin-2-yl]acetic acid
CID 110284461
2-[1-(cyclobutanecarbonyl)-4-[(3,5-difluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284376
2-[(2R)-1-[4-[(2-fluorophenyl)methoxy]benzoyl]piperidin-2-yl]acetic acid
CID 125176472
2-[4-(cyclopropylmethyl)-1-(naphthalene-1-carbonyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284433

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid (CID 110284411) is 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is O=C(O)CC1C(=O)N(Cc2ccccc2F)CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is BKFJLGGZPMRBPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O4/c21-15-7-5-13(6-8-15)19(27)24-10-9-23(20(28)17(24)11-18(25)26)12-14-3-1-2-4-16(14)22/h1-8,17H,9-12H2,(H,25,26).
What are the key properties of 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid?
2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 388.37 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).