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

C23H28N2O6 — CID 2880120

IUPAC1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N2O2.C2H2O4/c24-21(23-13-11-22(12-14-23)19-7-3-4-8-19)16-25-20-10-9-17-5-1-2-6-18(17)15-20;3-1(4)2(5)6/h1-2,5-6,9-10,15,19H,3-4,7-8,11-14,16H2;(H,3,4)(H,5,6)
InChIKeyKGKQAJLKVNVJBG-UHFFFAOYSA-N
MW428.49 g/mol
LogP2.46
Rot. Bonds4

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

1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid (PubChem CID 2880120) has the molecular formula C23H28N2O6 and a molecular weight of 428.49 g/mol. Its IUPAC name is 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid.

Molecular Properties

Compound Name1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
PubChem CID2880120
Molecular FormulaC23H28N2O6
Molecular Weight428.49 g/mol
Exact Mass428.19
IUPAC Name1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid
SMILESO=C(COc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H26N2O2.C2H2O4/c24-21(23-13-11-22(12-14-23)19-7-3-4-8-19)16-25-20-10-9-17-5-1-2-6-18(17)15-20;3-1(4)2(5)6/h1-2,5-6,9-10,15,19H,3-4,7-8,11-14,16H2;(H,3,4)(H,5,6)
InChIKeyKGKQAJLKVNVJBG-UHFFFAOYSA-N
XLogP2.46
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(3-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone;oxalic acid
CID 17369402
1-[4-(azepan-1-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 1333542
1-(4-cyclopentylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 2878195
1-[4-(2-methylcyclohexyl)piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 4159290
1-[4-[(1S,2R)-2-methylcyclohexyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 7354673
1-(4-cycloheptylpiperazin-1-yl)-2-(4-methoxyphenoxy)ethanone;oxalic acid
CID 17385067
2-(4-chlorophenoxy)-1-(4-cycloheptylpiperazin-1-yl)ethanone;oxalic acid
CID 2881105
7-[2-(4-cyclopentylpiperazin-1-yl)-2-oxoethoxy]chromen-2-one
CID 134020445
1-(4-cyclopentylpiperazin-1-yl)-2-(4-ethoxyphenoxy)ethanone
CID 134020442
2-[1-(2-naphthalen-2-yloxyacetyl)piperidin-4-yl]acetic acid
CID 119178087
1-[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-2-naphthalen-2-yloxyethanone
CID 59669981
1-[4-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]piperazin-1-yl]-2-naphthalen-2-yloxyethanone
CID 6970802

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The IUPAC name of 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid (CID 2880120) is 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid.
What is the SMILES notation for 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The canonical SMILES for 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid is O=C(COc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1.O=C(O)C(=O)O.
What is the InChIKey of 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
The InChIKey is KGKQAJLKVNVJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2.C2H2O4/c24-21(23-13-11-22(12-14-23)19-7-3-4-8-19)16-25-20-10-9-17-5-1-2-6-18(17)15-20;3-1(4)2(5)6/h1-2,5-6,9-10,15,19H,3-4,7-8,11-14,16H2;(H,3,4)(H,5,6).
What are the key properties of 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid?
1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid has a molecular weight of 428.49 g/mol, XLogP of 2.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopentylpiperazin-1-yl)-2-naphthalen-2-yloxyethanone;oxalic acid is sourced from PubChem (CID 2880120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).