furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid

C23H24N2O7 — CID 17366521

IUPACfuran-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H22N2O3.C2H2O4/c1-25-19-9-8-16-5-2-3-6-17(16)18(19)15-22-10-12-23(13-11-22)21(24)20-7-4-14-26-20;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6)
InChIKeyAEFDZYJQWXMDFJ-UHFFFAOYSA-N
MW440.45 g/mol
LogP2.56
Rot. Bonds4

About furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid

furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid (PubChem CID 17366521) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid.

Molecular Properties

Compound Namefuran-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
PubChem CID17366521
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namefuran-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid
SMILESCOc1ccc2ccccc2c1CN1CCN(C(=O)c2ccco2)CC1.O=C(O)C(=O)O
InChIInChI=1S/C21H22N2O3.C2H2O4/c1-25-19-9-8-16-5-2-3-6-17(16)18(19)15-22-10-12-23(13-11-22)21(24)20-7-4-14-26-20;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6)
InChIKeyAEFDZYJQWXMDFJ-UHFFFAOYSA-N
XLogP2.56
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(2-fluorophenyl)-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone
CID 1112882
furan-2-yl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 648203
furan-2-yl-[4-[(3-methoxy-4-phenylmethoxyphenyl)methyl]piperazin-1-yl]methanone
CID 23793021
(4-methylphenyl)methyl 4-[(2-methoxynaphthalen-1-yl)methyl]piperazine-1-carboxylate
CID 6733025
2-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]-1-piperidin-1-ylethanone
CID 112800157
furan-2-yl-[4-[(4-methoxyphenyl)methyl]-1,4-diazepan-1-yl]methanone
CID 56810704
3-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 109021977
(2,6-dimethoxyphenyl)-[4-(furan-2-ylmethyl)piperazin-1-yl]methanone;oxalic acid
CID 90483280
1-(4-benzylpiperazin-1-yl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]ethanone
CID 37377595
2-[4-(furan-2-carbonyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 37375142
furan-2-yl-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 113073228
2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135480830

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid?
The IUPAC name of furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid (CID 17366521) is furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid.
What is the SMILES notation for furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid?
The canonical SMILES for furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid is COc1ccc2ccccc2c1CN1CCN(C(=O)c2ccco2)CC1.O=C(O)C(=O)O.
What is the InChIKey of furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid?
The InChIKey is AEFDZYJQWXMDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3.C2H2O4/c1-25-19-9-8-16-5-2-3-6-17(16)18(19)15-22-10-12-23(13-11-22)21(24)20-7-4-14-26-20;3-1(4)2(5)6/h2-9,14H,10-13,15H2,1H3;(H,3,4)(H,5,6).
What are the key properties of furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid?
furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid has a molecular weight of 440.45 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-1-yl]methanone;oxalic acid is sourced from PubChem (CID 17366521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).