N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

C19H23N3O3 — CID 535726

IUPACN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3/c1-21-8-10-22(11-9-21)12-16(23)20-17-14-4-2-3-5-15(14)25-19(17)18(24)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyVEMGFZAUOINFRX-UHFFFAOYSA-N
MW341.41 g/mol
LogP2.21
Rot. Bonds5

About N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide

N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 535726) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID535726
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC NameN-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)CC1
InChIInChI=1S/C19H23N3O3/c1-21-8-10-22(11-9-21)12-16(23)20-17-14-4-2-3-5-15(14)25-19(17)18(24)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,20,23)
InChIKeyVEMGFZAUOINFRX-UHFFFAOYSA-N
XLogP2.21
TPSA65.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide (CID 535726) is N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)Nc2c(C(=O)C3CC3)oc3ccccc23)CC1.
What is the InChIKey of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is VEMGFZAUOINFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-21-8-10-22(11-9-21)12-16(23)20-17-14-4-2-3-5-15(14)25-19(17)18(24)13-6-7-13/h2-5,13H,6-12H2,1H3,(H,20,23).
What are the key properties of N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 341.41 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopropanecarbonyl)-1-benzofuran-3-yl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 535726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).