[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

C32H35N3O3 — CID 3689818

IUPAC[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N3CCN(c4ccccc4C)CC3)o2)c1
InChIInChI=1S/C32H35N3O3/c1-25-9-6-7-14-30(25)34-17-19-35(20-18-34)32(36)31-16-15-29(38-31)24-33(22-26-10-4-3-5-11-26)23-27-12-8-13-28(21-27)37-2/h3-16,21H,17-20,22-24H2,1-2H3
InChIKeyNIWJXJVJFXVZPK-UHFFFAOYSA-N
MW509.65 g/mol
LogP5.76
Rot. Bonds9

About [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone

[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (PubChem CID 3689818) has the molecular formula C32H35N3O3 and a molecular weight of 509.65 g/mol. Its IUPAC name is [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
PubChem CID3689818
Molecular FormulaC32H35N3O3
Molecular Weight509.65 g/mol
Exact Mass509.27
IUPAC Name[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
SMILESCOc1cccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N3CCN(c4ccccc4C)CC3)o2)c1
InChIInChI=1S/C32H35N3O3/c1-25-9-6-7-14-30(25)34-17-19-35(20-18-34)32(36)31-16-15-29(38-31)24-33(22-26-10-4-3-5-11-26)23-27-12-8-13-28(21-27)37-2/h3-16,21H,17-20,22-24H2,1-2H3
InChIKeyNIWJXJVJFXVZPK-UHFFFAOYSA-N
XLogP5.76
TPSA49.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.65
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-[[benzyl-[(2,5-dimethoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-chlorophenyl)piperazin-1-yl]methanone
CID 5003913
[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 3898909
[5-[[(3-fluorophenyl)methyl-[(4-methylphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 42753707
[5-[[(3-fluorophenyl)methyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-pyrrolidin-1-ylmethanone
CID 1200054
[5-[[(4-chlorophenyl)methyl-[(3-fluorophenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 5161062
1-[4-[5-[[benzyl-[(3,4-dimethoxyphenyl)methyl]amino]methyl]furan-2-carbonyl]piperazin-1-yl]ethanone
CID 4029039
2-(3-methoxyphenyl)-1-[4-(2-methylphenyl)piperazin-1-yl]ethanone
CID 9153668
[5-[[(3-fluorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone
CID 4572338
[5-[[(4-fluorophenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 42750611
[5-[[(2-methylphenyl)methyl-propan-2-ylamino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone
CID 4537846
[5-[[benzyl-[(4-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 3665468
ethyl 4-[5-[[benzyl-[(4-chlorophenyl)methyl]amino]methyl]furan-2-carbonyl]piperazine-1-carboxylate
CID 3376338

Frequently Asked Questions

What is the IUPAC name of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone (CID 3689818) is [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is COc1cccc(CN(Cc2ccccc2)Cc2ccc(C(=O)N3CCN(c4ccccc4C)CC3)o2)c1.
What is the InChIKey of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
The InChIKey is NIWJXJVJFXVZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O3/c1-25-9-6-7-14-30(25)34-17-19-35(20-18-34)32(36)31-16-15-29(38-31)24-33(22-26-10-4-3-5-11-26)23-27-12-8-13-28(21-27)37-2/h3-16,21H,17-20,22-24H2,1-2H3.
What are the key properties of [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone?
[5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone has a molecular weight of 509.65 g/mol, XLogP of 5.76, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[benzyl-[(3-methoxyphenyl)methyl]amino]methyl]furan-2-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 3689818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).