2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide

C20H19F2N3O3 — CID 166209794

IUPAC2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCNC(=O)C1c1ccccc1F
InChIInChI=1S/C20H19F2N3O3/c21-14-5-3-4-13(10-14)11-17(26)24-12-18(27)25-9-8-23-20(28)19(25)15-6-1-2-7-16(15)22/h1-7,10,19H,8-9,11-12H2,(H,23,28)(H,24,26)
InChIKeyKCFNITBAUKJSIJ-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.32
Rot. Bonds5

About 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide

2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide (PubChem CID 166209794) has the molecular formula C20H19F2N3O3 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
PubChem CID166209794
Molecular FormulaC20H19F2N3O3
Molecular Weight387.39 g/mol
Exact Mass387.14
IUPAC Name2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide
SMILESO=C(Cc1cccc(F)c1)NCC(=O)N1CCNC(=O)C1c1ccccc1F
InChIInChI=1S/C20H19F2N3O3/c21-14-5-3-4-13(10-14)11-17(26)24-12-18(27)25-9-8-23-20(28)19(25)15-6-1-2-7-16(15)22/h1-7,10,19H,8-9,11-12H2,(H,23,28)(H,24,26)
InChIKeyKCFNITBAUKJSIJ-UHFFFAOYSA-N
XLogP1.32
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-chlorophenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657002
4-[2-(3,4-dimethoxyphenyl)acetyl]-3-(2-fluorophenyl)piperazin-2-one
CID 110657027
4-[3-(3-fluorophenyl)propanoyl]-3-phenylpiperazin-2-one
CID 110728490
1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]pyrrolidine-2-carboxylic acid
CID 72523464
2-[4-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-4-oxobutyl]isoindole-1,3-dione
CID 110657054
4-(cyclobutanecarbonyl)-3-(2-fluorophenyl)piperazin-2-one
CID 110657064
3-(2-methylphenyl)-4-(2-phenylacetyl)piperazin-2-one
CID 110657182
4-(3-fluorobenzoyl)-3-(2-methylphenyl)piperazin-2-one
CID 110657161
3-amino-N-[[1-[2-[[2-(3-fluorophenyl)acetyl]amino]acetyl]piperidin-2-yl]methyl]propanamide
CID 120578113
4-[2-(2-fluorophenyl)acetyl]-3-phenylpiperazin-2-one
CID 110728495
(3S)-4-[2-(1H-benzimidazol-2-yl)acetyl]-3-(3-fluorophenyl)piperazin-2-one
CID 126453334
N-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]-2-(3-fluorophenyl)acetamide
CID 112991714

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide (CID 166209794) is 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide is O=C(Cc1cccc(F)c1)NCC(=O)N1CCNC(=O)C1c1ccccc1F.
What is the InChIKey of 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is KCFNITBAUKJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O3/c21-14-5-3-4-13(10-14)11-17(26)24-12-18(27)25-9-8-23-20(28)19(25)15-6-1-2-7-16(15)22/h1-7,10,19H,8-9,11-12H2,(H,23,28)(H,24,26).
What are the key properties of 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide?
2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 387.39 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-N-[2-[2-(2-fluorophenyl)-3-oxopiperazin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 166209794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).