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

C28H37N3O3 — CID 25064629

IUPAC2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccccc4)coc3c2)CC1
InChIInChI=1S/C28H37N3O3/c1-22(2)29-28(32)20-31-16-14-30(15-17-31)13-7-4-8-18-33-24-11-12-25-26(21-34-27(25)19-24)23-9-5-3-6-10-23/h3,5-6,9-12,19,21-22H,4,7-8,13-18,20H2,1-2H3,(H,29,32)
InChIKeyWEOQTGZRCVAVMS-UHFFFAOYSA-N
MW463.62 g/mol
LogP4.79
Rot. Bonds11

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

2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 25064629) has the molecular formula C28H37N3O3 and a molecular weight of 463.62 g/mol. Its IUPAC name is 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID25064629
Molecular FormulaC28H37N3O3
Molecular Weight463.62 g/mol
Exact Mass463.28
IUPAC Name2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccccc4)coc3c2)CC1
InChIInChI=1S/C28H37N3O3/c1-22(2)29-28(32)20-31-16-14-30(15-17-31)13-7-4-8-18-33-24-11-12-25-26(21-34-27(25)19-24)23-9-5-3-6-10-23/h3,5-6,9-12,19,21-22H,4,7-8,13-18,20H2,1-2H3,(H,29,32)
InChIKeyWEOQTGZRCVAVMS-UHFFFAOYSA-N
XLogP4.79
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.62
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[5-[[3-(4-cyanophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 25064630
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]acetic acid
CID 69170887
2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]-N-ethylacetamide
CID 25065860
7-[4-(4-acetylpiperazin-1-yl)butoxy]-3-phenylchromen-4-one
CID 10971851
3-phenyl-7-(4-piperazin-1-ylbutoxy)chromen-4-one
CID 11090179
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
CID 69170073
3-(4-hydroxyphenyl)-7-(6-morpholin-4-ylhexoxy)chromen-4-one
CID 56640470
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
3-[4-[4-(4-benzylpiperazin-1-yl)butoxy]phenyl]-7-hydroxychromen-4-one
CID 54759747
2-[4-[5-[4-(4-chlorobenzoyl)-3-methylphenoxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide
CID 69171206

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide (CID 25064629) is 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1CCN(CCCCCOc2ccc3c(-c4ccccc4)coc3c2)CC1.
What is the InChIKey of 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is WEOQTGZRCVAVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3O3/c1-22(2)29-28(32)20-31-16-14-30(15-17-31)13-7-4-8-18-33-24-11-12-25-26(21-34-27(25)19-24)23-9-5-3-6-10-23/h3,5-6,9-12,19,21-22H,4,7-8,13-18,20H2,1-2H3,(H,29,32).
What are the key properties of 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 463.62 g/mol, XLogP of 4.79, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[(3-phenyl-1-benzofuran-6-yl)oxy]pentyl]piperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 25064629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).