2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide

C24H26ClN3O2 — CID 11604236

IUPAC2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-20-6-4-8-23(16-20)30-18-24(29)26-21-9-13-27(14-10-21)17-19-5-3-7-22(15-19)28-11-1-2-12-28/h1-8,11-12,15-16,21H,9-10,13-14,17-18H2,(H,26,29)
InChIKeyFBHJAUBQAWIZFE-UHFFFAOYSA-N
MW423.94 g/mol
LogP4.29
Rot. Bonds7

About 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide

2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 11604236) has the molecular formula C24H26ClN3O2 and a molecular weight of 423.94 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID11604236
Molecular FormulaC24H26ClN3O2
Molecular Weight423.94 g/mol
Exact Mass423.17
IUPAC Name2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2cccc(-n3cccc3)c2)CC1
InChIInChI=1S/C24H26ClN3O2/c25-20-6-4-8-23(16-20)30-18-24(29)26-21-9-13-27(14-10-21)17-19-5-3-7-22(15-19)28-11-1-2-12-28/h1-8,11-12,15-16,21H,9-10,13-14,17-18H2,(H,26,29)
InChIKeyFBHJAUBQAWIZFE-UHFFFAOYSA-N
XLogP4.29
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.94
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Chloro-3-methyl-phenoxy)-N-pyridin-4-yl-acetamide
CID 831713
2-(4-chlorophenoxy)-N-(2-pyridin-2-ylethyl)acetamide
CID 2572372
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-[(5-chloro-2-pyridinyl)oxy]-2-methylpropanamide
CID 10366839
2-(3-chlorophenoxy)-N-(1-((1-(4-cyanophenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11510669
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethoxy)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11511776
2-(3-chlorophenoxy)-N-(1-((1-(5-(trifluoromethyl)pyridin-2-yl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11554989
2-(3-chlorophenoxy)-N-[1-(4-pyridin-2-ylbenzyl)piperidin-4-yl]acetamide
CID 11561155
2-(3-Chlorophenoxy)-n-(1-{[1-(4-methoxyphenyl)-1h-pyrrol-3-yl]methyl}piperidin-4-yl)acetamide
CID 11633862
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)azetidin-3-yl)acetamide
CID 11634061
2-(3-chlorophenoxy)-N-{1-[(1-phenyl-1H-pyrrol-3-yl)methyl]piperidin-4-yl}acetamide
CID 11676200
2-(3-chlorophenoxy)-N-methyl-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11677806
2-(3-chlorophenoxy)-N-(1-((1-(4-(trifluoromethyl)phenyl)-1H-pyrrol-3-yl)methyl)piperidin-4-yl)acetamide
CID 11712898

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 11604236) is 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2cccc(-n3cccc3)c2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is FBHJAUBQAWIZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O2/c25-20-6-4-8-23(16-20)30-18-24(29)26-21-9-13-27(14-10-21)17-19-5-3-7-22(15-19)28-11-1-2-12-28/h1-8,11-12,15-16,21H,9-10,13-14,17-18H2,(H,26,29).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 423.94 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenoxy)-N-[1-[(3-pyrrol-1-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11604236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).