N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide

C26H26ClF2N3O2 — CID 121413041

IUPACN-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ncccc1-c1ccc(Cl)cc1)C1CCN(CCOc2cc(F)ccc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-5-3-18(4-6-20)22-2-1-11-30-24(22)17-31-26(33)19-9-12-32(13-10-19)14-15-34-25-16-21(28)7-8-23(25)29/h1-8,11,16,19H,9-10,12-15,17H2,(H,31,33)
InChIKeyWGUCCFGOVIJLDC-UHFFFAOYSA-N
MW485.96 g/mol
LogP5.09
Rot. Bonds8

About N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide

N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 121413041) has the molecular formula C26H26ClF2N3O2 and a molecular weight of 485.96 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID121413041
Molecular FormulaC26H26ClF2N3O2
Molecular Weight485.96 g/mol
Exact Mass485.17
IUPAC NameN-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NCc1ncccc1-c1ccc(Cl)cc1)C1CCN(CCOc2cc(F)ccc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-5-3-18(4-6-20)22-2-1-11-30-24(22)17-31-26(33)19-9-12-32(13-10-19)14-15-34-25-16-21(28)7-8-23(25)29/h1-8,11,16,19H,9-10,12-15,17H2,(H,31,33)
InChIKeyWGUCCFGOVIJLDC-UHFFFAOYSA-N
XLogP5.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.96
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423617
N-benzyl-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 27107038
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413281
1-[2-(2-fluorophenoxy)ethyl]-N-propylpiperidine-4-carboxamide
CID 134046317
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethoxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 137423552
N-[(4-fluorophenyl)methyl]-1-[2-(4-methylphenoxy)ethyl]piperidine-4-carboxamide
CID 55838287
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
N-[(4-chlorophenyl)methyl]-1-[2-(1-ethylpyrrolo[2,3-b]pyridin-3-yl)ethyl]piperidine-4-carboxamide
CID 53145612
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
tert-butyl 3-[(3-fluoro-2-pyridinyl)methylcarbamoyl]pyrrolidine-1-carboxylate
CID 129067461
1-[(4-chloro-2-fluorophenyl)methyl]-N-(pyridin-2-ylmethyl)piperidine-4-carboxamide
CID 100684761
(3R)-N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-1-ethylpyrrolidine-3-carboxamide
CID 95200429

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide (CID 121413041) is N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(NCc1ncccc1-c1ccc(Cl)cc1)C1CCN(CCOc2cc(F)ccc2F)CC1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is WGUCCFGOVIJLDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N3O2/c27-20-5-3-18(4-6-20)22-2-1-11-30-24(22)17-31-26(33)19-9-12-32(13-10-19)14-15-34-25-16-21(28)7-8-23(25)29/h1-8,11,16,19H,9-10,12-15,17H2,(H,31,33).
What are the key properties of N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 485.96 g/mol, XLogP of 5.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-2-pyridinyl]methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121413041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).