5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide

C18H22ClF4N3O4 — CID 175510803

IUPAC5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(C(=O)NCCCOC(F)(F)F)NC1
InChIInChI=1S/C18H22ClF4N3O4/c19-13-4-3-12(8-14(13)20)29-10-16(27)26-11-2-5-15(25-9-11)17(28)24-6-1-7-30-18(21,22)23/h3-4,8,11,15,25H,1-2,5-7,9-10H2,(H,24,28)(H,26,27)
InChIKeyUQHFSSOFNDIXPG-UHFFFAOYSA-N
MW455.84 g/mol
LogP2.14
Rot. Bonds9

About 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide

5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide (PubChem CID 175510803) has the molecular formula C18H22ClF4N3O4 and a molecular weight of 455.84 g/mol. Its IUPAC name is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide.

Molecular Properties

Compound Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
PubChem CID175510803
Molecular FormulaC18H22ClF4N3O4
Molecular Weight455.84 g/mol
Exact Mass455.12
IUPAC Name5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
SMILESO=C(COc1ccc(Cl)c(F)c1)NC1CCC(C(=O)NCCCOC(F)(F)F)NC1
InChIInChI=1S/C18H22ClF4N3O4/c19-13-4-3-12(8-14(13)20)29-10-16(27)26-11-2-5-15(25-9-11)17(28)24-6-1-7-30-18(21,22)23/h3-4,8,11,15,25H,1-2,5-7,9-10H2,(H,24,28)(H,26,27)
InChIKeyUQHFSSOFNDIXPG-UHFFFAOYSA-N
XLogP2.14
TPSA88.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.84
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2R,5S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[6-(trifluoromethoxy)-2-pyridinyl]piperidine-2-carboxamide
CID 163263500
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-(3-methoxyphenyl)piperidine-2-carboxamide
CID 175510792
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
N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-(trifluoromethoxy)propyl]piperidine-2-carboxamide
CID 163263548
2-(4-chloro-3-fluorophenoxy)-N-[3-[2-[3-(trifluoromethoxy)cyclobutyl]oxyethoxy]cyclobutyl]acetamide
CID 139517471
N-[1-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-(trifluoromethoxy)propyl]piperidine-2-carboxamide;hydrochloride
CID 163263547
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 (2S)-5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-[2-(trifluoromethoxy)ethoxycarbamoyl]piperidine-1-carboxylate
CID 175510815
N-[3-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-1-bicyclo[1.1.1]pentanyl]-5-fluoropiperidine-2-carboxamide
CID 138626964
5-chloro-N-[(4S)-4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[3.2.0]heptanyl]-4-methylpiperidine-2-carboxamide
CID 138626804
2-[3-chloro-4-(difluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234235
N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-2-bicyclo[2.1.1]hexanyl]-5-phenylpiperidine-2-carboxamide
CID 138626630

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide?
The IUPAC name of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide (CID 175510803) is 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide.
What is the SMILES notation for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide?
The canonical SMILES for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide is O=C(COc1ccc(Cl)c(F)c1)NC1CCC(C(=O)NCCCOC(F)(F)F)NC1.
What is the InChIKey of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide?
The InChIKey is UQHFSSOFNDIXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClF4N3O4/c19-13-4-3-12(8-14(13)20)29-10-16(27)26-11-2-5-15(25-9-11)17(28)24-6-1-7-30-18(21,22)23/h3-4,8,11,15,25H,1-2,5-7,9-10H2,(H,24,28)(H,26,27).
What are the key properties of 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide?
5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide has a molecular weight of 455.84 g/mol, XLogP of 2.14, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-N-[3-(trifluoromethoxy)propyl]piperidine-2-carboxamide is sourced from PubChem (CID 175510803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).