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

C17H24N2O3 — CID 82322943

IUPAC2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(CN1CCN(C(=O)CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-14(17(21)22)13-18-9-11-19(12-10-18)16(20)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,21,22)
InChIKeyAWZMWHBHNDBKHR-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.48
Rot. Bonds6

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

2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid (PubChem CID 82322943) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
PubChem CID82322943
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Name2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
SMILESCC(CN1CCN(C(=O)CCc2ccccc2)CC1)C(=O)O
InChIInChI=1S/C17H24N2O3/c1-14(17(21)22)13-18-9-11-19(12-10-18)16(20)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,21,22)
InChIKeyAWZMWHBHNDBKHR-UHFFFAOYSA-N
XLogP1.48
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 95311755
3-phenyl-1-(4-propanoylpiperazin-1-yl)propan-1-one
CID 48867078
2-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid
CID 62317075
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
1-[4-[2-(dimethylamino)ethyl]piperazin-1-yl]-3-phenylpropan-1-one
CID 113073570
1-[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one;hydrochloride
CID 71782994
4-(3-phenylpropanoyl)piperazine-1-carboxamide
CID 57085481
1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-phenylpropan-1-one
CID 113073687
1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 95334915
1-(4-benzhydrylpiperazin-1-yl)-3-phenylpropan-1-one
CID 2849742
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
1-morpholin-4-yl-3-phenylpropan-1-one
CID 532825

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid (CID 82322943) is 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid is CC(CN1CCN(C(=O)CCc2ccccc2)CC1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
The InChIKey is AWZMWHBHNDBKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-14(17(21)22)13-18-9-11-19(12-10-18)16(20)8-7-15-5-3-2-4-6-15/h2-6,14H,7-13H2,1H3,(H,21,22).
What are the key properties of 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid?
2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid has a molecular weight of 304.39 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(3-phenylpropanoyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 82322943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).