2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid

C16H22N2O3 — CID 62317075

IUPAC2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-13(16(20)21)17-9-11-18(12-10-17)15(19)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,21)
InChIKeyACJOCQFDDWTAOZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.24
Rot. Bonds5

About 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid

2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 62317075) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
PubChem CID62317075
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CCN(C(=O)CCc2ccccc2)CC1
InChIInChI=1S/C16H22N2O3/c1-13(16(20)21)17-9-11-18(12-10-17)15(19)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,21)
InChIKeyACJOCQFDDWTAOZ-UHFFFAOYSA-N
XLogP1.24
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 82322943
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-(1-aminobutan-2-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 63337793
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
2-[4-[3-(4-methylphenyl)propanoyl]piperazin-1-yl]propanamide
CID 110750495
2-[4-(2-pyridin-3-ylacetyl)piperazin-1-yl]propanoic acid
CID 62691390
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825
4-(3-phenylpropanoyl)-1-propan-2-ylpiperazin-2-one
CID 110708994
1-(4-cyclopropylpiperazin-1-yl)-3-phenylpropan-1-one
CID 110708530
2-[4-(2-methylsulfanylacetyl)piperazin-1-yl]propanoic acid
CID 62317940

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid (CID 62317075) is 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid is CC(C(=O)O)N1CCN(C(=O)CCc2ccccc2)CC1.
What is the InChIKey of 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is ACJOCQFDDWTAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-13(16(20)21)17-9-11-18(12-10-17)15(19)8-7-14-5-3-2-4-6-14/h2-6,13H,7-12H2,1H3,(H,20,21).
What are the key properties of 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 290.36 g/mol, XLogP of 1.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 62317075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).