4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide

C17H18ClF3N4O4 — CID 163263691

IUPAC4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF3N4O4/c18-11-3-1-10(2-4-11)14(26)23-12-5-6-13(22-9-12)15-24-25-16(29-15)27-7-8-28-17(19,20)21/h1-4,12-13,22H,5-9H2,(H,23,26)/t12-,13+/m0/s1
InChIKeyFMLHMUNHSWUAQE-QWHCGFSZSA-N
MW434.80 g/mol
LogP2.86
Rot. Bonds7

About 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide

4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide (PubChem CID 163263691) has the molecular formula C17H18ClF3N4O4 and a molecular weight of 434.80 g/mol. Its IUPAC name is 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide
PubChem CID163263691
Molecular FormulaC17H18ClF3N4O4
Molecular Weight434.80 g/mol
Exact Mass434.10
IUPAC Name4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide
SMILESO=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClF3N4O4/c18-11-3-1-10(2-4-11)14(26)23-12-5-6-13(22-9-12)15-24-25-16(29-15)27-7-8-28-17(19,20)21/h1-4,12-13,22H,5-9H2,(H,23,26)/t12-,13+/m0/s1
InChIKeyFMLHMUNHSWUAQE-QWHCGFSZSA-N
XLogP2.86
TPSA98.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.80
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

7-chloro-N-[(3S)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]quinoline-3-carboxamide
CID 175733211
3-fluoro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-4-(trifluoromethyl)benzamide
CID 163263667
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]indolizine-2-carboxamide
CID 169101498
7-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]-2H-chromene-3-carboxamide
CID 169101514
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
2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 155234076
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 (2S,5R)-5-[(7-chloroquinoline-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101505
tert-butyl (2S)-5-[(3,4-dimethylbenzoyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 175463441
tert-butyl (2R,5S)-5-[(7-chloro-2H-chromene-3-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101518
tert-butyl (2R,5S)-5-[[2-(4-chloro-2-fluorophenoxy)acetyl]amino]-2-[5-(3,3,3-trifluoropropoxy)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate;2-[3-methoxy-4-(trifluoromethyl)phenoxy]-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]acetamide
CID 175746323
tert-butyl (2R,5S)-5-[(5-chloropyrazolo[1,5-a]pyridine-2-carbonyl)amino]-2-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidine-1-carboxylate
CID 169101506

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide?
The IUPAC name of 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide (CID 163263691) is 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide?
The canonical SMILES for 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide is O=C(N[C@H]1CC[C@H](c2nnc(OCCOC(F)(F)F)o2)NC1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide?
The InChIKey is FMLHMUNHSWUAQE-QWHCGFSZSA-N. The full InChI is InChI=1S/C17H18ClF3N4O4/c18-11-3-1-10(2-4-11)14(26)23-12-5-6-13(22-9-12)15-24-25-16(29-15)27-7-8-28-17(19,20)21/h1-4,12-13,22H,5-9H2,(H,23,26)/t12-,13+/m0/s1.
What are the key properties of 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide?
4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide has a molecular weight of 434.80 g/mol, XLogP of 2.86, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3S,6R)-6-[5-[2-(trifluoromethoxy)ethoxy]-1,3,4-oxadiazol-2-yl]piperidin-3-yl]benzamide is sourced from PubChem (CID 163263691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).