3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid

C17H25N3O6 — CID 24746925

IUPAC3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23N3O2.C2H2O4/c19-13-12-18-10-8-17(9-11-18)7-6-15(20)16-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-5,19H,6-13H2,(H,16,20);(H,3,4)(H,5,6)
InChIKeyGHEOAOUSAHIHFQ-UHFFFAOYSA-N
MW367.40 g/mol
LogP-0.22
Rot. Bonds6

About 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid

3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid (PubChem CID 24746925) has the molecular formula C17H25N3O6 and a molecular weight of 367.40 g/mol. Its IUPAC name is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid
PubChem CID24746925
Molecular FormulaC17H25N3O6
Molecular Weight367.40 g/mol
Exact Mass367.17
IUPAC Name3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid
SMILESO=C(CCN1CCN(CCO)CC1)Nc1ccccc1.O=C(O)C(=O)O
InChIInChI=1S/C15H23N3O2.C2H2O4/c19-13-12-18-10-8-17(9-11-18)7-6-15(20)16-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-5,19H,6-13H2,(H,16,20);(H,3,4)(H,5,6)
InChIKeyGHEOAOUSAHIHFQ-UHFFFAOYSA-N
XLogP-0.22
TPSA130.41 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid?
The IUPAC name of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid (CID 24746925) is 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid.
What is the SMILES notation for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid?
The canonical SMILES for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid is O=C(CCN1CCN(CCO)CC1)Nc1ccccc1.O=C(O)C(=O)O.
What is the InChIKey of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid?
The InChIKey is GHEOAOUSAHIHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2.C2H2O4/c19-13-12-18-10-8-17(9-11-18)7-6-15(20)16-14-4-2-1-3-5-14;3-1(4)2(5)6/h1-5,19H,6-13H2,(H,16,20);(H,3,4)(H,5,6).
What are the key properties of 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid?
3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid has a molecular weight of 367.40 g/mol, XLogP of -0.22, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyethyl)piperazin-1-yl]-N-phenylpropanamide;oxalic acid is sourced from PubChem (CID 24746925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).