2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid

C19H21FN2O4 — CID 110284258

IUPAC2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(CN2CCN(Cc3ccccc3F)C(=O)C2CC(=O)O)o1
InChIInChI=1S/C19H21FN2O4/c1-13-6-7-15(26-13)12-21-8-9-22(19(25)17(21)10-18(23)24)11-14-4-2-3-5-16(14)20/h2-7,17H,8-12H2,1H3,(H,23,24)
InChIKeyLVPHZOUNBPHHFW-UHFFFAOYSA-N
MW360.38 g/mol
LogP2.41
Rot. Bonds6

About 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid

2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid (PubChem CID 110284258) has the molecular formula C19H21FN2O4 and a molecular weight of 360.38 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
PubChem CID110284258
Molecular FormulaC19H21FN2O4
Molecular Weight360.38 g/mol
Exact Mass360.15
IUPAC Name2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid
SMILESCc1ccc(CN2CCN(Cc3ccccc3F)C(=O)C2CC(=O)O)o1
InChIInChI=1S/C19H21FN2O4/c1-13-6-7-15(26-13)12-21-8-9-22(19(25)17(21)10-18(23)24)11-14-4-2-3-5-16(14)20/h2-7,17H,8-12H2,1H3,(H,23,24)
InChIKeyLVPHZOUNBPHHFW-UHFFFAOYSA-N
XLogP2.41
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-fluorophenyl)methyl]-3-oxo-1-propylpiperazin-2-yl]acetic acid
CID 110284176
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-propylpiperazin-2-yl]acetic acid
CID 110284244
2-[1-[(5-methylfuran-2-yl)methyl]-3-oxo-4-prop-2-enylpiperazin-2-yl]acetic acid
CID 110284248
2-[1-(cyclobutanecarbonyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284377
2-[1-(4-fluorobenzoyl)-4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetic acid
CID 110284411
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-2-yl]acetic acid
CID 54899724
2-[4-[(5-methylfuran-2-yl)methyl]-1,1-dioxo-1,4-thiazinan-3-yl]acetic acid
CID 80519616
2-[4-(cyclobutylmethyl)-1-(furan-2-ylmethyl)-3-oxopiperazin-2-yl]acetic acid
CID 110284219
(1R,2R,4S)-2-ethyl-N-[(2-fluorophenyl)methyl]-7-[(5-methylfuran-2-yl)methyl]-7-azabicyclo[2.2.1]heptane-2-carboxamide
CID 154564466
ethyl 2-[4-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 110283992
(7R,8aS)-1'-[(2-fluorophenyl)methyl]-7-hydroxy-2-[(5-methylfuran-2-yl)methyl]spiro[6,7,8,8a-tetrahydropyrrolo[1,2-a]pyrazine-4,3'-azetidine]-1,3-dione
CID 100615674
ethyl 2-[1-[(2-fluorophenyl)methyl]-3-oxopiperazin-2-yl]acetate
CID 2997439

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid (CID 110284258) is 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid is Cc1ccc(CN2CCN(Cc3ccccc3F)C(=O)C2CC(=O)O)o1.
What is the InChIKey of 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
The InChIKey is LVPHZOUNBPHHFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O4/c1-13-6-7-15(26-13)12-21-8-9-22(19(25)17(21)10-18(23)24)11-14-4-2-3-5-16(14)20/h2-7,17H,8-12H2,1H3,(H,23,24).
What are the key properties of 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid?
2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid has a molecular weight of 360.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenyl)methyl]-1-[(5-methylfuran-2-yl)methyl]-3-oxopiperazin-2-yl]acetic acid is sourced from PubChem (CID 110284258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).