(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid

C14H16F2N2O3 — CID 97206232

IUPAC(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
SMILESCC(=O)N1CCN([C@@H](C(=O)O)c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-9(19)17-5-7-18(8-6-17)13(14(20)21)10-3-2-4-11(15)12(10)16/h2-4,13H,5-8H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyOEDKAJLWBOOAPW-CYBMUJFWSA-N
MW298.29 g/mol
LogP1.25
Rot. Bonds3

About (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid

(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid (PubChem CID 97206232) has the molecular formula C14H16F2N2O3 and a molecular weight of 298.29 g/mol. Its IUPAC name is (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid.

Molecular Properties

Compound Name(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
PubChem CID97206232
Molecular FormulaC14H16F2N2O3
Molecular Weight298.29 g/mol
Exact Mass298.11
IUPAC Name(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
SMILESCC(=O)N1CCN([C@@H](C(=O)O)c2cccc(F)c2F)CC1
InChIInChI=1S/C14H16F2N2O3/c1-9(19)17-5-7-18(8-6-17)13(14(20)21)10-3-2-4-11(15)12(10)16/h2-4,13H,5-8H2,1H3,(H,20,21)/t13-/m1/s1
InChIKeyOEDKAJLWBOOAPW-CYBMUJFWSA-N
XLogP1.25
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.29
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-2-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetic acid
CID 2762218
2-(4-ethylpiperazin-1-yl)-2-(2-fluorophenyl)acetic acid
CID 84746417
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,3-dimethoxyphenyl)acetic acid
CID 72889820
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2-propan-2-yloxyphenyl)acetic acid
CID 86284227
2-(4-acetylpiperazin-1-yl)-2-(4-methylphenyl)acetic acid
CID 84751142
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2,4-dichlorophenyl)acetic acid
CID 72936573
2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid
CID 86284847
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
(2S)-2-(4-acetylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)acetic acid
CID 39313930
2-(1,4-diazepan-1-yl)-2-(2,3-difluorophenyl)acetamide
CID 63668089
1-[4-[(2R)-1-(2-fluorophenyl)propan-2-yl]piperazin-1-yl]ethanone
CID 30980260
(2R)-2-(2,3-dimethylphenyl)-2-[4-(4-fluorophenyl)piperazin-1-yl]acetic acid
CID 97135183

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid?
The IUPAC name of (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid (CID 97206232) is (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid.
What is the SMILES notation for (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid?
The canonical SMILES for (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid is CC(=O)N1CCN([C@@H](C(=O)O)c2cccc(F)c2F)CC1.
What is the InChIKey of (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid?
The InChIKey is OEDKAJLWBOOAPW-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F2N2O3/c1-9(19)17-5-7-18(8-6-17)13(14(20)21)10-3-2-4-11(15)12(10)16/h2-4,13H,5-8H2,1H3,(H,20,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid?
(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid has a molecular weight of 298.29 g/mol, XLogP of 1.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid is sourced from PubChem (CID 97206232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).