3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

C22H23N3O4 — CID 20926069

IUPAC3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)c1
InChIInChI=1S/C22H23N3O4/c1-24-10-12-25(13-11-24)22(27)20-19(17-8-3-4-9-18(17)29-20)23-21(26)15-6-5-7-16(14-15)28-2/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyIJMVCXIFESFLCV-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.08
Rot. Bonds4

About 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide

3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20926069) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20926069
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1cccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)c1
InChIInChI=1S/C22H23N3O4/c1-24-10-12-25(13-11-24)22(27)20-19(17-8-3-4-9-18(17)29-20)23-21(26)15-6-5-7-16(14-15)28-2/h3-9,14H,10-13H2,1-2H3,(H,23,26)
InChIKeyIJMVCXIFESFLCV-UHFFFAOYSA-N
XLogP3.08
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-1,3-benzodioxole-5-carboxamide
CID 20925850
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
3-(methoxymethyl)-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 18092742
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
3-fluoro-N-[2-(4-phenylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20925795
3-fluoro-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926283
N-(3-fluorophenyl)-3-[(3-methoxybenzoyl)amino]-1-benzofuran-2-carboxamide
CID 20875257
4-fluoro-N-[2-(3-methoxybenzoyl)-1-benzofuran-3-yl]benzamide
CID 18829898
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-5-nitrofuran-2-carboxamide
CID 53209577

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20926069) is 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is COc1cccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)c1.
What is the InChIKey of 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is IJMVCXIFESFLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-10-12-25(13-11-24)22(27)20-19(17-8-3-4-9-18(17)29-20)23-21(26)15-6-5-7-16(14-15)28-2/h3-9,14H,10-13H2,1-2H3,(H,23,26).
What are the key properties of 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide has a molecular weight of 393.44 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20926069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).