2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid

C14H16Cl2N2O3 — CID 62317244

IUPAC2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-9(14(20)21)17-4-6-18(7-5-17)13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyKAPRTDSAUAMAMB-UHFFFAOYSA-N
MW331.20 g/mol
LogP2.22
Rot. Bonds3

About 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid

2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid (PubChem CID 62317244) has the molecular formula C14H16Cl2N2O3 and a molecular weight of 331.20 g/mol. Its IUPAC name is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
PubChem CID62317244
Molecular FormulaC14H16Cl2N2O3
Molecular Weight331.20 g/mol
Exact Mass330.05
IUPAC Name2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C14H16Cl2N2O3/c1-9(14(20)21)17-4-6-18(7-5-17)13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,20,21)
InChIKeyKAPRTDSAUAMAMB-UHFFFAOYSA-N
XLogP2.22
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanamide
CID 46444763
(4-benzhydrylpiperazin-1-yl)-(2,4-dichlorophenyl)methanone
CID 1083374
2-[4-(3-chlorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317082
2-[4-(2-fluoro-5-methylbenzoyl)piperazin-1-yl]propanoic acid
CID 62516519
(4-chloro-2-iodophenyl)-(4-propan-2-ylpiperazin-1-yl)methanone
CID 47039260
2-[4-(5-bromo-2-fluorobenzoyl)piperazin-1-yl]propanoic acid
CID 62317604
4-(2,4-dichlorobenzoyl)-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110811718
1-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-2-ethylbutan-1-one
CID 108569544
(2,4-dichlorophenyl)-[4-(2-hydroxybutyl)piperazin-1-yl]methanone
CID 111105857
2-[4-(2-chloro-4-methylbenzoyl)piperazin-1-yl]propanethioamide
CID 106861304
4-(2,4-dichlorobenzoyl)piperazine-1-carbothioamide
CID 2050568
1-(2,4-dichlorobenzoyl)piperidin-4-one
CID 24690626

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid (CID 62317244) is 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid?
The InChIKey is KAPRTDSAUAMAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N2O3/c1-9(14(20)21)17-4-6-18(7-5-17)13(19)11-3-2-10(15)8-12(11)16/h2-3,8-9H,4-7H2,1H3,(H,20,21).
What are the key properties of 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid?
2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid has a molecular weight of 331.20 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).