N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide

C26H26ClF2N3O2 — CID 121413281

IUPACN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-9-8-21(28)17-22(24)29/h1-9,12,17,19,25H,10-11,13-16H2,(H,31,33)
InChIKeyGIFYJJHMBYBQGA-UHFFFAOYSA-N
MW485.96 g/mol
LogP5.01
Rot. Bonds8

About N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide

N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide (PubChem CID 121413281) has the molecular formula C26H26ClF2N3O2 and a molecular weight of 485.96 g/mol. Its IUPAC name is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
PubChem CID121413281
Molecular FormulaC26H26ClF2N3O2
Molecular Weight485.96 g/mol
Exact Mass485.17
IUPAC NameN-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide
SMILESO=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccc(F)cc2F)CC1
InChIInChI=1S/C26H26ClF2N3O2/c27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-9-8-21(28)17-22(24)29/h1-9,12,17,19,25H,10-11,13-16H2,(H,31,33)
InChIKeyGIFYJJHMBYBQGA-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2-methoxyphenoxy)ethyl]piperidine-4-carboxamide
CID 137423495
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-[2-(trifluoromethoxy)phenoxy]ethyl]piperidine-4-carboxamide
CID 137423552
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,6-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413311
1-[2-(3-chlorophenoxy)ethyl]-N-[(R)-(4-chlorophenyl)-pyridin-2-ylmethyl]piperidine-4-carboxamide
CID 137423514
N-[(S)-(4-chlorophenyl)-(2-fluorophenyl)methyl]-1-[2-(2,5-difluorophenoxy)ethyl]piperidine-4-carboxamide
CID 137423617
N-[(S)-(4-chlorophenyl)-pyridin-2-ylmethyl]-1-(3-phenoxypropyl)piperidine-4-carboxamide
CID 137423539
N-[(S)-(2,2-difluoro-1,3-benzodioxol-5-yl)-pyridin-2-ylmethyl]-1-[2-(2-fluorophenoxy)ethyl]piperidine-4-carboxamide
CID 121413430
(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-(2-fluorophenoxy)ethyl]-N-[pyridin-2-yl-[3-(trifluoromethoxy)phenyl]methyl]piperidine-4-carboxamide
CID 137423734
N-[(4-chlorophenyl)-(4-fluorophenyl)methyl]-1-(2-phenoxyethyl)piperidine-4-carboxamide
CID 121427392
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

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide (CID 121413281) is N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide is O=C(NC(c1ccc(Cl)cc1)c1ccccn1)C1CCN(CCOc2ccc(F)cc2F)CC1.
What is the InChIKey of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
The InChIKey is GIFYJJHMBYBQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClF2N3O2/c27-20-6-4-18(5-7-20)25(23-3-1-2-12-30-23)31-26(33)19-10-13-32(14-11-19)15-16-34-24-9-8-21(28)17-22(24)29/h1-9,12,17,19,25H,10-11,13-16H2,(H,31,33).
What are the key properties of N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide?
N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide has a molecular weight of 485.96 g/mol, XLogP of 5.01, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)-pyridin-2-ylmethyl]-1-[2-(2,4-difluorophenoxy)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 121413281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).