1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid

C22H28N2O6 — CID 2881179

IUPAC1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
SMILESCCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2O2.C2H2O4/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19;3-1(4)2(5)6/h4-9,14,16H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXYUWIKLKONLXGE-UHFFFAOYSA-N
MW416.47 g/mol
LogP2.32
Rot. Bonds5

About 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid

1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid (PubChem CID 2881179) has the molecular formula C22H28N2O6 and a molecular weight of 416.47 g/mol. Its IUPAC name is 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid.

Molecular Properties

Compound Name1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
PubChem CID2881179
Molecular FormulaC22H28N2O6
Molecular Weight416.47 g/mol
Exact Mass416.19
IUPAC Name1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
SMILESCCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C20H26N2O2.C2H2O4/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19;3-1(4)2(5)6/h4-9,14,16H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6)
InChIKeyXYUWIKLKONLXGE-UHFFFAOYSA-N
XLogP2.32
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Napropamide
CID 27189
Simetride
CID 71622
Napropamide-M
CID 13013865
Ethyl 1-(2-naphthalen-1-yloxyacetyl)piperidine-4-carboxylate
CID 773942
Methyl 2-[(2-naphthalen-2-yloxyacetyl)amino]propanoate
CID 4600742
2-(Naphthalen-2-yloxy)-1-(piperazin-1-yl)ethanone 2,2,2-trifluoroacetate
CID 24792335
2-(2-naphthyloxy)-N-(2,2,6,6-tetramethyl-4-piperidinyl)acetamide
CID 811984
2-(2-Naphthalenyloxy)-1-(1-pyrrolidinyl)ethanone
CID 875060
2-Naphthyl 2-oxo-2-[4-(phenylacetyl)-1-piperazinyl]ethyl ether
CID 1072081
1-[(4-Methylphenoxy)acetyl]-4-(4-phenylcyclohexyl)piperazine oxalate
CID 2880017
N-allyl-N-[2-(1-naphthyloxy)ethyl]-2-propen-1-amine oxalate
CID 2923807
1-[2-(2-Biphenylyloxy)ethyl]-4-ethylpiperazine oxalate
CID 2961164

Frequently Asked Questions

What is the IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The IUPAC name of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid (CID 2881179) is 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid.
What is the SMILES notation for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The canonical SMILES for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid is CCC(C)N1CCN(C(=O)COc2ccc3ccccc3c2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The InChIKey is XYUWIKLKONLXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2.C2H2O4/c1-3-16(2)21-10-12-22(13-11-21)20(23)15-24-19-9-8-17-6-4-5-7-18(17)14-19;3-1(4)2(5)6/h4-9,14,16H,3,10-13,15H2,1-2H3;(H,3,4)(H,5,6).
What are the key properties of 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid has a molecular weight of 416.47 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-butan-2-ylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid is sourced from PubChem (CID 2881179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).