N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide

C23H24F6N2O2 — CID 57144282

IUPACN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide
SMILESO=CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNC1c1ccccc1
InChIInChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)12-33-13-20(31-14-32)19-7-4-8-30-21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19-21,30H,4,7-8,12-13H2,(H,31,32)
InChIKeyUZCHGGQDLSSVTP-UHFFFAOYSA-N
MW474.45 g/mol
LogP5.10
Rot. Bonds8

About N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide

N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide (PubChem CID 57144282) has the molecular formula C23H24F6N2O2 and a molecular weight of 474.45 g/mol. Its IUPAC name is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide.

Molecular Properties

Compound NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide
PubChem CID57144282
Molecular FormulaC23H24F6N2O2
Molecular Weight474.45 g/mol
Exact Mass474.17
IUPAC NameN-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide
SMILESO=CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNC1c1ccccc1
InChIInChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)12-33-13-20(31-14-32)19-7-4-8-30-21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19-21,30H,4,7-8,12-13H2,(H,31,32)
InChIKeyUZCHGGQDLSSVTP-UHFFFAOYSA-N
XLogP5.10
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.45
LogP ≤ 55.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-3-((3,5-Bis(trifluoromethyl)phenyl)methoxy)-2-phenylpiperidine
CID 132846
L-733,060 hydrochloride
CID 11957600
2-[3-(3,5-Bis-trifluoromethyl-benzyloxy)-2-phenyl-piperidin-1-yl]-acetamide
CID 9890435
1-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)urea
CID 10128131
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)propionamide
CID 10152358
(3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidine-3-carboxamide
CID 10217361
(3R,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidine-3-carboxamide
CID 10217362
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(piperidin-4-yl)imidazolidin-2-one
CID 10231172
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)acetamide
CID 10288987
N-((3S,6S)-6-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-6-phenylpiperidin-3-yl)cyclopropanecarboxamide
CID 10289302
(S)-2-(((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)methyl)-2-phenylpiperidine
CID 11712457
4-((3,5-Bis(trifluoromethyl)benzyloxy)methyl)-4-(4-fluorophenyl)-1-(1-methylpiperidin-4-yl)imidazolidin-2-one
CID 22960738

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide?
The IUPAC name of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide (CID 57144282) is N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide.
What is the SMILES notation for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide?
The canonical SMILES for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide is O=CNC(COCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CCCNC1c1ccccc1.
What is the InChIKey of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide?
The InChIKey is UZCHGGQDLSSVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F6N2O2/c24-22(25,26)17-9-15(10-18(11-17)23(27,28)29)12-33-13-20(31-14-32)19-7-4-8-30-21(19)16-5-2-1-3-6-16/h1-3,5-6,9-11,14,19-21,30H,4,7-8,12-13H2,(H,31,32).
What are the key properties of N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide?
N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide has a molecular weight of 474.45 g/mol, XLogP of 5.10, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide is sourced from PubChem (CID 57144282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).