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

C15H21N3O3 — CID 43397416

IUPAC3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h1-5H,6-12H2,(H,16,19)(H,20,21)
InChIKeyXRLLUCMZJLDLAR-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.72
Rot. Bonds6

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

3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid (PubChem CID 43397416) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
PubChem CID43397416
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
SMILESO=C(O)CCN1CCN(CC(=O)Nc2ccccc2)CC1
InChIInChI=1S/C15H21N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h1-5H,6-12H2,(H,16,19)(H,20,21)
InChIKeyXRLLUCMZJLDLAR-UHFFFAOYSA-N
XLogP0.72
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methylpiperazin-1-yl)-N-phenylpropanamide
CID 719539
2-(4-hydroxypiperidin-1-yl)-N-phenylacetamide
CID 39902294
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid
CID 62310082
2-[4-(4-oxo-4-phenylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 34435067
2-[4-(4-methylpentanoyl)piperazin-1-yl]-N-phenylacetamide
CID 37280943
3-[4-[N-(phenylcarbamoyl)anilino]piperidin-1-yl]propanoic acid
CID 134069329
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
3-(4-cyclopentylpiperazin-1-yl)-N-phenylpropanamide
CID 86928095
2-[4-[2-oxo-2-(propan-2-ylcarbamoylamino)ethyl]piperazin-1-yl]-N-phenylacetamide
CID 31691698
2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-phenylacetamide
CID 31149436
2-[4-[2-(4-benzylpiperazin-1-yl)acetyl]piperazin-1-yl]-N-phenylacetamide
CID 30863583

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid?
The IUPAC name of 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid (CID 43397416) is 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid is O=C(O)CCN1CCN(CC(=O)Nc2ccccc2)CC1.
What is the InChIKey of 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid?
The InChIKey is XRLLUCMZJLDLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c19-14(16-13-4-2-1-3-5-13)12-18-10-8-17(9-11-18)7-6-15(20)21/h1-5H,6-12H2,(H,16,19)(H,20,21).
What are the key properties of 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid?
3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 0.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]propanoic acid is sourced from PubChem (CID 43397416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).