N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide

C22H23N3O3 — CID 574801

IUPACN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)CC1
InChIInChI=1S/C22H23N3O3/c1-24-11-13-25(14-12-24)15-19(26)23-20-17-9-5-6-10-18(17)28-22(20)21(27)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,26)
InChIKeyXFSKLMQOZIPOGJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.85
Rot. Bonds5

About N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide

N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 574801) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID574801
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC NameN-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)CC1
InChIInChI=1S/C22H23N3O3/c1-24-11-13-25(14-12-24)15-19(26)23-20-17-9-5-6-10-18(17)28-22(20)21(27)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,26)
InChIKeyXFSKLMQOZIPOGJ-UHFFFAOYSA-N
XLogP2.85
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Befuraline
CID 68664
N-(4-acetylphenyl)-1-benzofuran-2-carboxamide
CID 675185
N-(4-methylphenyl)-1-benzofuran-2-carboxamide
CID 725663
N-(2-Benzoyl-3-benzofuranyl)acetamide
CID 616884
(3-Amino-1-benzofuran-2-yl)(4-methylphenyl)methanone
CID 619566
N-[4-(5-{[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl}furan-2-yl)phenyl]-1-benzofuran-2-carboxamide
CID 44182307
3-methyl-N-phenyl-N-(3-(piperidin-1-yl)propyl)benzofuran-2-carboxamide
CID 71452341
N-[4-(hexanoylamino)-2-methoxyphenyl]-1-benzofuran-2-carboxamide
CID 1868107
5-bromo-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 9982854
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)benzofuran-2-carboxamide
CID 10092819
N-[4-[4-(3-Cyanophenyl)piperazin-1-yl]butyl]benzo[b]furan-2-carboxamide
CID 11596521
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]-1-benzofuran-2-carboxamide
CID 57873531

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide (CID 574801) is N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)CC1.
What is the InChIKey of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is XFSKLMQOZIPOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-24-11-13-25(14-12-24)15-19(26)23-20-17-9-5-6-10-18(17)28-22(20)21(27)16-7-3-2-4-8-16/h2-10H,11-15H2,1H3,(H,23,26).
What are the key properties of N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide?
N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 377.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-1-benzofuran-3-yl)-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 574801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).