1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

C20H26N2O3 — CID 75439073

IUPAC1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOCc1ccc(CN2CCN(C(=O)Cc3ccccc3C)CC2)o1
InChIInChI=1S/C20H26N2O3/c1-16-5-3-4-6-17(16)13-20(23)22-11-9-21(10-12-22)14-18-7-8-19(25-18)15-24-2/h3-8H,9-15H2,1-2H3
InChIKeyKAJGAAAOYNSWFJ-UHFFFAOYSA-N
MW342.44 g/mol
LogP2.62
Rot. Bonds6

About 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone (PubChem CID 75439073) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
PubChem CID75439073
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Name1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
SMILESCOCc1ccc(CN2CCN(C(=O)Cc3ccccc3C)CC2)o1
InChIInChI=1S/C20H26N2O3/c1-16-5-3-4-6-17(16)13-20(23)22-11-9-21(10-12-22)14-18-7-8-19(25-18)15-24-2/h3-8H,9-15H2,1-2H3
InChIKeyKAJGAAAOYNSWFJ-UHFFFAOYSA-N
XLogP2.62
TPSA45.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone with MolForge

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Related Compounds

2-(2-methylphenyl)-1-[4-[(4-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 60613987
2-(2-methylphenyl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073706
1-[4-[(3-bromophenyl)methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone
CID 60614765
[5-[(4-bromophenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325645
(4-chlorophenyl)-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]methanone
CID 84592898
2-(4-methoxyphenyl)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 110398838
2-(2-methylphenyl)-1-[4-(2-phenylethyl)piperazin-1-yl]ethanone
CID 17145715
1-[4-[2-(2-methoxyethylamino)acetyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone;hydrochloride
CID 119763349
1-(4-hydroxy-4-methylpiperidin-1-yl)-2-(2-methylphenyl)ethanone
CID 80706813
3-amino-1-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one;hydrochloride
CID 119311717
2-(methylamino)-1-[4-[(2-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 120703329
[5-[(3-methoxyphenoxy)methyl]furan-2-yl]-[4-[(2-methylphenyl)methyl]piperazin-1-yl]methanone
CID 19325593

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The IUPAC name of 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone (CID 75439073) is 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The canonical SMILES for 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone is COCc1ccc(CN2CCN(C(=O)Cc3ccccc3C)CC2)o1.
What is the InChIKey of 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone?
The InChIKey is KAJGAAAOYNSWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-16-5-3-4-6-17(16)13-20(23)22-11-9-21(10-12-22)14-18-7-8-19(25-18)15-24-2/h3-8H,9-15H2,1-2H3.
What are the key properties of 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone?
1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone has a molecular weight of 342.44 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-(methoxymethyl)furan-2-yl]methyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone is sourced from PubChem (CID 75439073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).