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

C22H23N3O4 — CID 20926026

IUPAC4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)cc1
InChIInChI=1S/C22H23N3O4/c1-24-11-13-25(14-12-24)22(27)20-19(17-5-3-4-6-18(17)29-20)23-21(26)15-7-9-16(28-2)10-8-15/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyDKDPXTJNXDHALM-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.08
Rot. Bonds4

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

4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (PubChem CID 20926026) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
PubChem CID20926026
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Name4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
SMILESCOc1ccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)cc1
InChIInChI=1S/C22H23N3O4/c1-24-11-13-25(14-12-24)22(27)20-19(17-5-3-4-6-18(17)29-20)23-21(26)15-7-9-16(28-2)10-8-15/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyDKDPXTJNXDHALM-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

3-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926069
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]-1,3-benzodioxole-5-carboxamide
CID 20925850
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-3-methoxybenzamide
CID 20926272
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
4-fluoro-N-[2-(morpholine-4-carbonyl)-1-benzofuran-3-yl]benzamide
CID 7614430
N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
N-[2-[(4-methoxyphenyl)-(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-yl]benzamide
CID 46270053
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 22510987
5-(4-methoxyphenyl)-N-[2-(4-methylpiperidine-1-carbonyl)-1-benzofuran-3-yl]-1,2-oxazole-3-carboxamide
CID 46271206
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 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide (CID 20926026) is 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is COc1ccc(C(=O)Nc2c(C(=O)N3CCN(C)CC3)oc3ccccc23)cc1.
What is the InChIKey of 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
The InChIKey is DKDPXTJNXDHALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-24-11-13-25(14-12-24)22(27)20-19(17-5-3-4-6-18(17)29-20)23-21(26)15-7-9-16(28-2)10-8-15/h3-10H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide?
4-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 4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide is sourced from PubChem (CID 20926026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).