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

C25H26ClN3O2 — CID 11561155

IUPAC2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2/c26-21-4-3-5-23(16-21)31-18-25(30)28-22-11-14-29(15-12-22)17-19-7-9-20(10-8-19)24-6-1-2-13-27-24/h1-10,13,16,22H,11-12,14-15,17-18H2,(H,28,30)
InChIKeySYBNLTUHRJAZJD-UHFFFAOYSA-N
MW435.96 g/mol
LogP4.56
Rot. Bonds7

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

2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide (PubChem CID 11561155) has the molecular formula C25H26ClN3O2 and a molecular weight of 435.96 g/mol. Its IUPAC name is 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide
PubChem CID11561155
Molecular FormulaC25H26ClN3O2
Molecular Weight435.96 g/mol
Exact Mass435.17
IUPAC Name2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide
SMILESO=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccccn3)cc2)CC1
InChIInChI=1S/C25H26ClN3O2/c26-21-4-3-5-23(16-21)31-18-25(30)28-22-11-14-29(15-12-22)17-19-7-9-20(10-8-19)24-6-1-2-13-27-24/h1-10,13,16,22H,11-12,14-15,17-18H2,(H,28,30)
InChIKeySYBNLTUHRJAZJD-UHFFFAOYSA-N
XLogP4.56
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Tirbanibulin
CID 23635314
N-[(1S,2S)-3-(4-chlorophenyl)-1-methyl-2-phenylpropyl]-2-methyl-2-{[5-(trifluoromethyl)pyridin-2-yl]oxy}propanamide
CID 16098344
2-(4-chloro-2-((2-(6-methyl-2-oxo-3-(2-(pyridin-2-yl)ethylamino)pyrazin-1(2H)-yl)acetamido)methyl)phenoxy)-N-(piperidin-3-yl)acetamide
CID 53324991
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-[3-(1h-pyrrol-1-yl)benzyl]piperidin-4-yl}acetamide
CID 11604236
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

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide (CID 11561155) is 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide is O=C(COc1cccc(Cl)c1)NC1CCN(Cc2ccc(-c3ccccn3)cc2)CC1.
What is the InChIKey of 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
The InChIKey is SYBNLTUHRJAZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClN3O2/c26-21-4-3-5-23(16-21)31-18-25(30)28-22-11-14-29(15-12-22)17-19-7-9-20(10-8-19)24-6-1-2-13-27-24/h1-10,13,16,22H,11-12,14-15,17-18H2,(H,28,30).
What are the key properties of 2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide?
2-(3-chlorophenoxy)-N-[1-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide has a molecular weight of 435.96 g/mol, XLogP of 4.56, 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-[(4-pyridin-2-ylphenyl)methyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 11561155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).