(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide

C20H19ClF4N4O4 — CID 163263500

IUPAC(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)n2)NC1
InChIInChI=1S/C20H19ClF4N4O4/c21-13-6-5-12(8-14(13)22)32-10-17(30)27-11-4-7-15(26-9-11)19(31)29-16-2-1-3-18(28-16)33-20(23,24)25/h1-3,5-6,8,11,15,26H,4,7,9-10H2,(H,27,30)(H,28,29,31)/t11-,15+/m0/s1
InChIKeyPYVOXDWPMGJGKA-XHDPSFHLSA-N
MW490.84 g/mol
LogP3.03
Rot. Bonds7

About (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide

(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide (PubChem CID 163263500) has the molecular formula C20H19ClF4N4O4 and a molecular weight of 490.84 g/mol. Its IUPAC name is (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
PubChem CID163263500
Molecular FormulaC20H19ClF4N4O4
Molecular Weight490.84 g/mol
Exact Mass490.10
IUPAC Name(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)n2)NC1
InChIInChI=1S/C20H19ClF4N4O4/c21-13-6-5-12(8-14(13)22)32-10-17(30)27-11-4-7-15(26-9-11)19(31)29-16-2-1-3-18(28-16)33-20(23,24)25/h1-3,5-6,8,11,15,26H,4,7,9-10H2,(H,27,30)(H,28,29,31)/t11-,15+/m0/s1
InChIKeyPYVOXDWPMGJGKA-XHDPSFHLSA-N
XLogP3.03
TPSA101.58 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.84
LogP ≤ 53.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide with MolForge

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Related Compounds

5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-methoxyphenyl)piperidine-2-carboxamide
CID 175510792
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
CID 175510803
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-methyl-N-[6-(trifluoromethyl)pyrazin-2-yl]piperidine-2-carboxamide
CID 175510721
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[7-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]piperidin-3-yl]acetamide
CID 169220644
tert-butyl 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[6-(trifluoromethyl)pyrazin-2-yl]carbamoyl]piperidine-1-carboxylate
CID 175510724
tert-butyl (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 163263530
tert-butyl (2S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[3-(trifluoromethyl)phenyl]carbamoyl]piperidine-1-carboxylate
CID 175510690
2-(4-chloro-3-fluorophenoxy)-N-[(3S,6R)-6-[5-(4,4,4-trifluorobutoxy)-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234829
tert-butyl (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[[5-(trifluoromethyl)-3-pyridinyl]carbamoyl]piperidine-1-carboxylate
CID 163263586
tert-butyl (3R)-3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]piperidine-1-carboxylate
CID 175746278
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-fluoropiperidine-2-carboxamide
CID 138626964

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide?
The IUPAC name of (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide (CID 163263500) is (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide.
What is the SMILES notation for (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide?
The canonical SMILES for (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)N[C@H]1CC[C@H](C(=O)Nc2cccc(OC(F)(F)F)n2)NC1.
What is the InChIKey of (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide?
The InChIKey is PYVOXDWPMGJGKA-XHDPSFHLSA-N. The full InChI is InChI=1S/C20H19ClF4N4O4/c21-13-6-5-12(8-14(13)22)32-10-17(30)27-11-4-7-15(26-9-11)19(31)29-16-2-1-3-18(28-16)33-20(23,24)25/h1-3,5-6,8,11,15,26H,4,7,9-10H2,(H,27,30)(H,28,29,31)/t11-,15+/m0/s1.
What are the key properties of (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide?
(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide has a molecular weight of 490.84 g/mol, XLogP of 3.03, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide is sourced from PubChem (CID 163263500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).