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

C24H26F6N2O2 — CID 57164779

IUPACN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide
SMILESO=CNC(CCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1c1ccccc1
InChIInChI=1S/C24H26F6N2O2/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-34-11-9-22(31-16-33)32-10-5-4-8-21(32)18-6-2-1-3-7-18/h1-3,6-7,12-14,16,21-22H,4-5,8-11,15H2,(H,31,33)
InChIKeyUTWZLLQHWXYXHP-UHFFFAOYSA-N
MW488.47 g/mol
LogP5.93
Rot. Bonds9

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

N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide (PubChem CID 57164779) has the molecular formula C24H26F6N2O2 and a molecular weight of 488.47 g/mol. Its IUPAC name is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide.

Molecular Properties

Compound NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide
PubChem CID57164779
Molecular FormulaC24H26F6N2O2
Molecular Weight488.47 g/mol
Exact Mass488.19
IUPAC NameN-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide
SMILESO=CNC(CCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1c1ccccc1
InChIInChI=1S/C24H26F6N2O2/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-34-11-9-22(31-16-33)32-10-5-4-8-21(32)18-6-2-1-3-7-18/h1-3,6-7,12-14,16,21-22H,4-5,8-11,15H2,(H,31,33)
InChIKeyUTWZLLQHWXYXHP-UHFFFAOYSA-N
XLogP5.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.47
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-3-yl)ethyl]formamide
CID 57144282
2-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidin-1-yl]acetic acid
CID 19379348
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]acetamide
CID 87675846
(3S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylmorpholine
CID 140974148
(2S)-2-phenyl-1-propan-2-ylpiperidine
CID 140931618
2-[4-[2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenylethyl]piperazin-1-yl]acetic acid
CID 10141196
tert-butyl (3S,4R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpyrrolidine-1-carboxylate
CID 89380615
1-[(3R,4S)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidin-1-yl]ethanone
CID 86606806
1-butan-2-yl-2-phenylpiperidine
CID 167239134
2-[4-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidin-1-yl]acetic acid
CID 19960197
(3S,4R)-3-[[3,5-bis(trifluoromethyl)phenyl]methoxymethyl]-4-phenylpiperidine
CID 52917329
1-[4-[(3S,4R)-4-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-3-phenylpiperidine-1-carbonyl]piperidin-1-yl]ethanone
CID 87677296

Frequently Asked Questions

What is the IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide?
The IUPAC name of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide (CID 57164779) is N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide.
What is the SMILES notation for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide?
The canonical SMILES for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide is O=CNC(CCOCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCCCC1c1ccccc1.
What is the InChIKey of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide?
The InChIKey is UTWZLLQHWXYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F6N2O2/c25-23(26,27)19-12-17(13-20(14-19)24(28,29)30)15-34-11-9-22(31-16-33)32-10-5-4-8-21(32)18-6-2-1-3-7-18/h1-3,6-7,12-14,16,21-22H,4-5,8-11,15H2,(H,31,33).
What are the key properties of N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide?
N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide has a molecular weight of 488.47 g/mol, XLogP of 5.93, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-(2-phenylpiperidin-1-yl)propyl]formamide is sourced from PubChem (CID 57164779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).