3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide

C22H23N3O3 — CID 108805438

IUPAC3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)oc2ccccc12
InChIInChI=1S/C22H23N3O3/c1-15-18-5-3-4-6-19(18)28-20(15)21(26)23-17-9-7-16(8-10-17)22(27)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyQOENZYGFJBTIJT-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.38
Rot. Bonds3

About 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide

3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide (PubChem CID 108805438) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
PubChem CID108805438
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide
SMILESCc1c(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)oc2ccccc12
InChIInChI=1S/C22H23N3O3/c1-15-18-5-3-4-6-19(18)28-20(15)21(26)23-17-9-7-16(8-10-17)22(27)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3,(H,23,26)
InChIKeyQOENZYGFJBTIJT-UHFFFAOYSA-N
XLogP3.38
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide (CID 108805438) is 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide is Cc1c(C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)oc2ccccc12.
What is the InChIKey of 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
The InChIKey is QOENZYGFJBTIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-15-18-5-3-4-6-19(18)28-20(15)21(26)23-17-9-7-16(8-10-17)22(27)25-13-11-24(2)12-14-25/h3-10H,11-14H2,1-2H3,(H,23,26).
What are the key properties of 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide?
3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-(4-methylpiperazine-1-carbonyl)phenyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 108805438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).