2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

C24H28N4O3 — CID 34014992

IUPAC2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-26(2)20-9-7-18(8-10-20)16-25-23(29)17-27-11-13-28(14-12-27)24(30)22-15-19-5-3-4-6-21(19)31-22/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,29)
InChIKeyGDJFCQBPADZBQK-UHFFFAOYSA-N
MW420.51 g/mol
LogP2.57
Rot. Bonds6

About 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide

2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (PubChem CID 34014992) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
PubChem CID34014992
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide
SMILESCN(C)c1ccc(CNC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1
InChIInChI=1S/C24H28N4O3/c1-26(2)20-9-7-18(8-10-20)16-25-23(29)17-27-11-13-28(14-12-27)24(30)22-15-19-5-3-4-6-21(19)31-22/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,29)
InChIKeyGDJFCQBPADZBQK-UHFFFAOYSA-N
XLogP2.57
TPSA69.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The IUPAC name of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide (CID 34014992) is 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide.
What is the SMILES notation for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The canonical SMILES for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is CN(C)c1ccc(CNC(=O)CN2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1.
What is the InChIKey of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
The InChIKey is GDJFCQBPADZBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-26(2)20-9-7-18(8-10-20)16-25-23(29)17-27-11-13-28(14-12-27)24(30)22-15-19-5-3-4-6-21(19)31-22/h3-10,15H,11-14,16-17H2,1-2H3,(H,25,29).
What are the key properties of 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide?
2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide has a molecular weight of 420.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-[[4-(dimethylamino)phenyl]methyl]acetamide is sourced from PubChem (CID 34014992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).