2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide

C28H36ClN3O3 — CID 69171438

IUPAC2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CCCCCOc1ccc2c(-c3ccc(Cl)cc3)coc2c1)C1CCNCC1
InChIInChI=1S/C28H36ClN3O3/c1-31(2)28(33)19-32(23-12-14-30-15-13-23)16-4-3-5-17-34-24-10-11-25-26(20-35-27(25)18-24)21-6-8-22(29)9-7-21/h6-11,18,20,23,30H,3-5,12-17,19H2,1-2H3
InChIKeyZVYYVWSEXZXBQM-UHFFFAOYSA-N
MW498.07 g/mol
LogP5.44
Rot. Bonds11

About 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide

2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide (PubChem CID 69171438) has the molecular formula C28H36ClN3O3 and a molecular weight of 498.07 g/mol. Its IUPAC name is 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide
PubChem CID69171438
Molecular FormulaC28H36ClN3O3
Molecular Weight498.07 g/mol
Exact Mass497.24
IUPAC Name2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide
SMILESCN(C)C(=O)CN(CCCCCOc1ccc2c(-c3ccc(Cl)cc3)coc2c1)C1CCNCC1
InChIInChI=1S/C28H36ClN3O3/c1-31(2)28(33)19-32(23-12-14-30-15-13-23)16-4-3-5-17-34-24-10-11-25-26(20-35-27(25)18-24)21-6-8-22(29)9-7-21/h6-11,18,20,23,30H,3-5,12-17,19H2,1-2H3
InChIKeyZVYYVWSEXZXBQM-UHFFFAOYSA-N
XLogP5.44
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.07
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide with MolForge

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Related Compounds

2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]acetic acid
CID 69170887
3-(4-chlorophenyl)-7-[4-[2-(dimethylamino)ethyl-methylamino]butoxy]chromen-4-one;dihydrochloride
CID 168920338
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]-N-(2-methylpropyl)acetamide
CID 25065250
2-[2-[4-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl]piperazin-1-yl]ethyl]guanidine
CID 69170073
2-[4-[5-[1-acetyl-3-(4-chlorophenyl)indol-6-yl]oxypentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 69190292
3-(4-chlorophenyl)-6-methoxy-1-benzofuran
CID 69171668
7-(4-piperazin-1-ylbutoxy)-3-(4-propan-2-ylphenyl)chromen-4-one
CID 102303977
7-[3-(dimethylamino)propoxy]-3-[4-[3-(dimethylamino)propoxy]phenyl]chromen-4-one
CID 71698611
2-[4-[5-[[3-(4-chlorophenyl)-1,2-benzoxazol-6-yl]oxy]pentyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 25066896
7-[5-(4-ethylpiperidin-1-yl)pentoxy]-3-(4-hydroxyphenyl)chromen-4-one
CID 56640468
2-(6-methoxy-1-benzofuran-3-yl)-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552458

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide (CID 69171438) is 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide is CN(C)C(=O)CN(CCCCCOc1ccc2c(-c3ccc(Cl)cc3)coc2c1)C1CCNCC1.
What is the InChIKey of 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide?
The InChIKey is ZVYYVWSEXZXBQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36ClN3O3/c1-31(2)28(33)19-32(23-12-14-30-15-13-23)16-4-3-5-17-34-24-10-11-25-26(20-35-27(25)18-24)21-6-8-22(29)9-7-21/h6-11,18,20,23,30H,3-5,12-17,19H2,1-2H3.
What are the key properties of 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide?
2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide has a molecular weight of 498.07 g/mol, XLogP of 5.44, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[3-(4-chlorophenyl)-1-benzofuran-6-yl]oxy]pentyl-piperidin-4-ylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 69171438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).