[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone

C26H30N2O5 — CID 21045914

IUPAC[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)CC2C)c1
InChIInChI=1S/C26H30N2O5/c1-18-17-27(12-13-28(18)20-6-5-7-21(16-20)30-2)26(29)25-11-9-23(33-25)15-19-14-22(31-3)8-10-24(19)32-4/h5-11,14,16,18H,12-13,15,17H2,1-4H3
InChIKeyHTSLTCIJSCNPBD-UHFFFAOYSA-N
MW450.54 g/mol
LogP4.25
Rot. Bonds7

About [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone

[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone (PubChem CID 21045914) has the molecular formula C26H30N2O5 and a molecular weight of 450.54 g/mol. Its IUPAC name is [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone
PubChem CID21045914
Molecular FormulaC26H30N2O5
Molecular Weight450.54 g/mol
Exact Mass450.22
IUPAC Name[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone
SMILESCOc1cccc(N2CCN(C(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)CC2C)c1
InChIInChI=1S/C26H30N2O5/c1-18-17-27(12-13-28(18)20-6-5-7-21(16-20)30-2)26(29)25-11-9-23(33-25)15-19-14-22(31-3)8-10-24(19)32-4/h5-11,14,16,18H,12-13,15,17H2,1-4H3
InChIKeyHTSLTCIJSCNPBD-UHFFFAOYSA-N
XLogP4.25
TPSA64.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone with MolForge

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Related Compounds

N-[1-[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]pyrrolidin-3-yl]-N-methylacetamide
CID 21046751
(3-methoxyphenyl)-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]methanone
CID 2465576
2-(3-methoxyphenyl)-1-[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481309
2-(3-methoxyphenyl)-1-[(3S)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]ethanone
CID 2481312
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
[(3S)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238185
[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-(2-methyl-1H-imidazol-5-yl)methanone
CID 97238184
[(3R)-3-methyl-4-(3-methylphenyl)piperazin-1-yl]-[5-[[(S)-phenylsulfinyl]methyl]furan-2-yl]methanone
CID 92662326
1-[(3R)-4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]-2-[2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]ethanone
CID 97071464
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21048194
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265

Frequently Asked Questions

What is the IUPAC name of [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone (CID 21045914) is [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone is COc1cccc(N2CCN(C(=O)c3ccc(Cc4cc(OC)ccc4OC)o3)CC2C)c1.
What is the InChIKey of [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone?
The InChIKey is HTSLTCIJSCNPBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O5/c1-18-17-27(12-13-28(18)20-6-5-7-21(16-20)30-2)26(29)25-11-9-23(33-25)15-19-14-22(31-3)8-10-24(19)32-4/h5-11,14,16,18H,12-13,15,17H2,1-4H3.
What are the key properties of [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone?
[5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone has a molecular weight of 450.54 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2,5-dimethoxyphenyl)methyl]furan-2-yl]-[4-(3-methoxyphenyl)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 21045914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).