N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide

C28H27N3O4 — CID 20925865

IUPACN-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H27N3O4/c1-19-8-3-4-11-22(19)27(32)29-25-23-12-5-6-13-24(23)35-26(25)28(33)31-16-14-30(15-17-31)20-9-7-10-21(18-20)34-2/h3-13,18H,14-17H2,1-2H3,(H,29,32)
InChIKeyYYGQGEXSCYCUPN-UHFFFAOYSA-N
MW469.54 g/mol
LogP4.96
Rot. Bonds5

About N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide

N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide (PubChem CID 20925865) has the molecular formula C28H27N3O4 and a molecular weight of 469.54 g/mol. Its IUPAC name is N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
PubChem CID20925865
Molecular FormulaC28H27N3O4
Molecular Weight469.54 g/mol
Exact Mass469.20
IUPAC NameN-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
SMILESCOc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3C)CC2)c1
InChIInChI=1S/C28H27N3O4/c1-19-8-3-4-11-22(19)27(32)29-25-23-12-5-6-13-24(23)35-26(25)28(33)31-16-14-30(15-17-31)20-9-7-10-21(18-20)34-2/h3-13,18H,14-17H2,1-2H3,(H,29,32)
InChIKeyYYGQGEXSCYCUPN-UHFFFAOYSA-N
XLogP4.96
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.54
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
2-methyl-N-[2-(4-pyridin-2-ylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925870
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
N-[2-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925872
[3-(methoxymethyl)-1-benzofuran-2-yl]-[4-(3-methoxyphenyl)piperazin-1-yl]methanone
CID 38573803
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
N-[2-[4-(3-methoxyphenyl)piperazin-1-yl]-2-oxoethyl]-2-methylbenzamide
CID 51161506
N-(4-methoxyphenyl)-3-[(2-methylbenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875169
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide (CID 20925865) is N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide is COc1cccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)c3ccccc3C)CC2)c1.
What is the InChIKey of N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
The InChIKey is YYGQGEXSCYCUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N3O4/c1-19-8-3-4-11-22(19)27(32)29-25-23-12-5-6-13-24(23)35-26(25)28(33)31-16-14-30(15-17-31)20-9-7-10-21(18-20)34-2/h3-13,18H,14-17H2,1-2H3,(H,29,32).
What are the key properties of N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide?
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide has a molecular weight of 469.54 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide is sourced from PubChem (CID 20925865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).