2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid

C15H19ClN2O3 — CID 86284847

IUPAC2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid
SMILESCC(=O)N1CCN(C(C(=O)O)c2cc(C)ccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-13(16)12(9-10)14(15(20)21)18-7-5-17(6-8-18)11(2)19/h3-4,9,14H,5-8H2,1-2H3,(H,20,21)
InChIKeyZVQRYMYCNNJVPM-UHFFFAOYSA-N
MW310.78 g/mol
LogP1.94
Rot. Bonds3

About 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid

2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid (PubChem CID 86284847) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid.

Molecular Properties

Compound Name2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid
PubChem CID86284847
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid
SMILESCC(=O)N1CCN(C(C(=O)O)c2cc(C)ccc2Cl)CC1
InChIInChI=1S/C15H19ClN2O3/c1-10-3-4-13(16)12(9-10)14(15(20)21)18-7-5-17(6-8-18)11(2)19/h3-4,9,14H,5-8H2,1-2H3,(H,20,21)
InChIKeyZVQRYMYCNNJVPM-UHFFFAOYSA-N
XLogP1.94
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
(2S)-2-(4-acetylpiperazin-1-yl)-2-(5-chloro-1H-indol-3-yl)acetic acid
CID 39313930
(2R)-2-(4-acetylpiperazin-1-yl)-2-(2,3-difluorophenyl)acetic acid
CID 97206232
2-(4-acetylpiperazin-1-yl)-2-(2-hydroxy-5-methylphenyl)acetonitrile
CID 84757655
2-(2,4-dimethylphenyl)-2-piperazin-1-ylacetic acid
CID 54890187
1-[4-[1-(4-methylphenyl)ethyl]piperazin-1-yl]ethanone
CID 155201573
2-(4-acetyl-1,4-diazepan-1-yl)-2-(2-propan-2-yloxyphenyl)acetic acid
CID 86284227
1-[carboxy-(2-hydroxy-5-methylphenyl)methyl]piperidine-3-carboxylic acid
CID 84748632
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
1-[4-(2-chloro-4-methylanilino)piperidin-1-yl]ethanone
CID 43772607
1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
CID 116860030

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid?
The IUPAC name of 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid (CID 86284847) is 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid.
What is the SMILES notation for 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid?
The canonical SMILES for 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid is CC(=O)N1CCN(C(C(=O)O)c2cc(C)ccc2Cl)CC1.
What is the InChIKey of 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid?
The InChIKey is ZVQRYMYCNNJVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c1-10-3-4-13(16)12(9-10)14(15(20)21)18-7-5-17(6-8-18)11(2)19/h3-4,9,14H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid?
2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid has a molecular weight of 310.78 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetylpiperazin-1-yl)-2-(2-chloro-5-methylphenyl)acetic acid is sourced from PubChem (CID 86284847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).