N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide

C28H32ClN3O2 — CID 121412882

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCN(CCOc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C28H32ClN3O2/c1-22(33)32(28(27-9-5-6-16-30-27)24-10-12-25(29)13-11-24)21-23-14-17-31(18-15-23)19-20-34-26-7-3-2-4-8-26/h2-13,16,23,28H,14-15,17-21H2,1H3
InChIKeyODRYUYAAPPLFEG-UHFFFAOYSA-N
MW478.04 g/mol
LogP5.46
Rot. Bonds9

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide (PubChem CID 121412882) has the molecular formula C28H32ClN3O2 and a molecular weight of 478.04 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide
PubChem CID121412882
Molecular FormulaC28H32ClN3O2
Molecular Weight478.04 g/mol
Exact Mass477.22
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide
SMILESCC(=O)N(CC1CCN(CCOc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C28H32ClN3O2/c1-22(33)32(28(27-9-5-6-16-30-27)24-10-12-25(29)13-11-24)21-23-14-17-31(18-15-23)19-20-34-26-7-3-2-4-8-26/h2-13,16,23,28H,14-15,17-21H2,1H3
InChIKeyODRYUYAAPPLFEG-UHFFFAOYSA-N
XLogP5.46
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]-N-methyl-1-[1-(2-phenoxyethyl)piperidin-4-yl]ethanamine
CID 121413322
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-(4-phenoxybutyl)piperidine-4-carboxamide
CID 121413426
(4-chlorophenyl)-pyridin-2-ylmethanamine;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;1-(2-phenoxyethyl)piperidine-4-carboxylic acid
CID 161097139
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
(Z)-but-2-ene;N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide;ethane
CID 145107795
1-(2-phenoxyethyl)-N-[(R)-phenyl(pyridin-2-yl)methyl]piperidine-4-carboxamide
CID 137423471
N-[(S)-(2-chlorophenyl)-pyridin-2-ylmethyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 137423554
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
N-[(4-chlorophenyl)-[1-(2-phenoxyethyl)piperidin-4-yl]methyl]ethanamine
CID 57145177
N-[(4-chlorophenyl)-(2-methylphenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide;ethane
CID 145107785
1-[1-[2-(3-chlorophenoxy)ethyl]piperidin-4-yl]-N,N-dimethylmethanamine;dihydrochloride
CID 19085401

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide (CID 121412882) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide is CC(=O)N(CC1CCN(CCOc2ccccc2)CC1)C(c1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide?
The InChIKey is ODRYUYAAPPLFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32ClN3O2/c1-22(33)32(28(27-9-5-6-16-30-27)24-10-12-25(29)13-11-24)21-23-14-17-31(18-15-23)19-20-34-26-7-3-2-4-8-26/h2-13,16,23,28H,14-15,17-21H2,1H3.
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide has a molecular weight of 478.04 g/mol, XLogP of 5.46, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-N-[[1-(2-phenoxyethyl)piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 121412882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).