2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide

C29H36N4O3 — CID 25064630

IUPAC2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(C#N)cc4)coc3c2)CC1
InChIInChI=1S/C29H36N4O3/c1-22(2)31-29(34)20-33-15-13-32(14-16-33)12-4-3-5-17-35-25-10-11-26-27(21-36-28(26)18-25)24-8-6-23(19-30)7-9-24/h6-11,18,21-22H,3-5,12-17,20H2,1-2H3,(H,31,34)
InChIKeyZHCIVDZVJBHMJH-UHFFFAOYSA-N
MW488.63 g/mol
LogP4.66
Rot. Bonds11

About 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide

2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 25064630) has the molecular formula C29H36N4O3 and a molecular weight of 488.63 g/mol. Its IUPAC name is 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID25064630
Molecular FormulaC29H36N4O3
Molecular Weight488.63 g/mol
Exact Mass488.28
IUPAC Name2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(C#N)cc4)coc3c2)CC1
InChIInChI=1S/C29H36N4O3/c1-22(2)31-29(34)20-33-15-13-32(14-16-33)12-4-3-5-17-35-25-10-11-26-27(21-36-28(26)18-25)24-8-6-23(19-30)7-9-24/h6-11,18,21-22H,3-5,12-17,20H2,1-2H3,(H,31,34)
InChIKeyZHCIVDZVJBHMJH-UHFFFAOYSA-N
XLogP4.66
TPSA81.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.63
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064629
N-propan-2-yl-2-[4-[5-[(3-thiophen-2-yl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]acetamide
CID 25064207
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-(2-methylpropyl)acetamide
CID 25065250
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
CID 69170073
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
4-[4-[[1-[3-[3-(4-methoxyphenyl)-4-oxochromen-7-yl]oxypropyl]triazol-4-yl]methyl]piperazin-1-yl]benzonitrile
CID 175668200

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 25064630) is 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccc(C#N)cc4)coc3c2)CC1.
What is the InChIKey of 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is ZHCIVDZVJBHMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N4O3/c1-22(2)31-29(34)20-33-15-13-32(14-16-33)12-4-3-5-17-35-25-10-11-26-27(21-36-28(26)18-25)24-8-6-23(19-30)7-9-24/h6-11,18,21-22H,3-5,12-17,20H2,1-2H3,(H,31,34).
What are the key properties of 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 488.63 g/mol, XLogP of 4.66, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25064630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).