2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide

C27H31N3O4 — CID 22510987

IUPAC2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C27H31N3O4/c1-33-21-12-10-20(11-13-21)29-14-16-30(17-15-29)27(32)26-25(22-8-4-5-9-23(22)34-26)28-24(31)18-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3,(H,28,31)
InChIKeyWXQLLPYDUDCLDQ-UHFFFAOYSA-N
MW461.56 g/mol
LogP4.92
Rot. Bonds6

About 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide

2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide (PubChem CID 22510987) has the molecular formula C27H31N3O4 and a molecular weight of 461.56 g/mol. Its IUPAC name is 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound Name2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
PubChem CID22510987
Molecular FormulaC27H31N3O4
Molecular Weight461.56 g/mol
Exact Mass461.23
IUPAC Name2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
SMILESCOc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)CC3CCCC3)CC2)cc1
InChIInChI=1S/C27H31N3O4/c1-33-21-12-10-20(11-13-21)29-14-16-30(17-15-29)27(32)26-25(22-8-4-5-9-23(22)34-26)28-24(31)18-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3,(H,28,31)
InChIKeyWXQLLPYDUDCLDQ-UHFFFAOYSA-N
XLogP4.92
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.56
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925724
2-(4-methoxyphenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925835
2-(4-methoxyphenyl)-N-[2-(pyrrolidine-1-carbonyl)-1-benzofuran-3-yl]acetamide
CID 20926232
4-fluoro-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]benzamide
CID 20925911
N-[2-(azepane-1-carbonyl)-1-benzofuran-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 20926267
3-[(2-cyclopentylacetyl)amino]-N-(2,4-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 7160217
2-(4-fluorophenyl)-N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide
CID 20925808
4-methoxy-N-[2-(4-methylpiperazine-1-carbonyl)-1-benzofuran-3-yl]benzamide
CID 20926026
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]cyclohexanecarboxamide
CID 20925892
N-[2-[4-(3-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-methylbenzamide
CID 20925865
3-[(2-cyclopentylacetyl)amino]-N,N-dipropyl-1-benzofuran-2-carboxamide
CID 22511134
N-[2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]-2-thiophen-2-ylacetamide
CID 20925721

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The IUPAC name of 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide (CID 22510987) is 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The canonical SMILES for 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide is COc1ccc(N2CCN(C(=O)c3oc4ccccc4c3NC(=O)CC3CCCC3)CC2)cc1.
What is the InChIKey of 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
The InChIKey is WXQLLPYDUDCLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O4/c1-33-21-12-10-20(11-13-21)29-14-16-30(17-15-29)27(32)26-25(22-8-4-5-9-23(22)34-26)28-24(31)18-19-6-2-3-7-19/h4-5,8-13,19H,2-3,6-7,14-18H2,1H3,(H,28,31).
What are the key properties of 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide?
2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide has a molecular weight of 461.56 g/mol, XLogP of 4.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-N-[2-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 22510987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).