2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid

C14H16Cl2N2O3 — CID 43521392

IUPAC2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)8-11)7-13(19)18-5-3-17(4-6-18)9-14(20)21/h1-2,8H,3-7,9H2,(H,20,21)
InChIKeyNTQDVKCYPVVVGE-UHFFFAOYSA-N
MW331.20 g/mol
LogP1.76
Rot. Bonds4

About 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid

2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid (PubChem CID 43521392) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
PubChem CID43521392
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid
SMILESO=C(O)CN1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)8-11)7-13(19)18-5-3-17(4-6-18)9-14(20)21/h1-2,8H,3-7,9H2,(H,20,21)
InChIKeyNTQDVKCYPVVVGE-UHFFFAOYSA-N
XLogP1.76
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyethyl)piperazin-1-yl]ethanone
CID 43390857
2-(2,4-dichlorophenyl)-1-piperazin-1-ylethanone
CID 14964763
2-(2,4-dichlorophenyl)-1-[4-(hydroxymethyl)piperidin-1-yl]ethanone
CID 54878843
2-(2,4-dichlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]ethanone
CID 2437970
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone
CID 119621558
1-(4-benzylpiperazin-1-yl)-2-(4-chloro-2-fluorophenyl)ethanone
CID 56921578
2-[2-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485570
2-(4-chloro-3-methylpyrazol-1-yl)-1-[4-[(2,4-dichlorophenyl)methyl]piperazin-1-yl]ethanone
CID 19531523
2-[4-[2-(3-chlorophenoxy)acetyl]piperazin-1-yl]acetic acid
CID 43521222
2-(2,4-dichlorophenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone
CID 22831097
1-[4-[2-[(2,4-dichlorophenyl)methylsulfanyl]acetyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 55914884
1-[4-(1-aminoethyl)piperidin-1-yl]-2-(2,4-dichlorophenyl)ethanone;hydrochloride
CID 119516648

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid?
The IUPAC name of 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid (CID 43521392) is 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid?
The canonical SMILES for 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid is O=C(O)CN1CCN(C(=O)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid?
The InChIKey is NTQDVKCYPVVVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c15-11-2-1-10(12(16)8-11)7-13(19)18-5-3-17(4-6-18)9-14(20)21/h1-2,8H,3-7,9H2,(H,20,21).
What are the key properties of 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid?
2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid has a molecular weight of 331.20 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2,4-dichlorophenyl)acetyl]piperazin-1-yl]acetic acid is sourced from PubChem (CID 43521392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).