2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

C26H30F3N3O4 — CID 175289276

IUPAC2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)C(c2cc(N3CCOCC3)cc(C3(O)COC3)c2)C1
InChIInChI=1S/C26H30F3N3O4/c27-26(28,29)19-1-3-21(4-2-19)32-6-5-17(24(30)33)13-23(32)18-11-20(25(34)15-36-16-25)14-22(12-18)31-7-9-35-10-8-31/h1-4,11-12,14,17,23,34H,5-10,13,15-16H2,(H2,30,33)
InChIKeyNRBVPARSWCWFLQ-UHFFFAOYSA-N
MW505.54 g/mol
LogP3.20
Rot. Bonds5

About 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide

2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 175289276) has the molecular formula C26H30F3N3O4 and a molecular weight of 505.54 g/mol. Its IUPAC name is 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID175289276
Molecular FormulaC26H30F3N3O4
Molecular Weight505.54 g/mol
Exact Mass505.22
IUPAC Name2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)C(c2cc(N3CCOCC3)cc(C3(O)COC3)c2)C1
InChIInChI=1S/C26H30F3N3O4/c27-26(28,29)19-1-3-21(4-2-19)32-6-5-17(24(30)33)13-23(32)18-11-20(25(34)15-36-16-25)14-22(12-18)31-7-9-35-10-8-31/h1-4,11-12,14,17,23,34H,5-10,13,15-16H2,(H2,30,33)
InChIKeyNRBVPARSWCWFLQ-UHFFFAOYSA-N
XLogP3.20
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.54
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide with MolForge

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Related Compounds

N-(5-morpholin-4-yl-2-pyridinyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 55549138
[4-(3-hydroxyoxetan-3-yl)phenyl]-[(2S)-2-(2-methoxy-4-pyridinyl)-4-[4-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 156537011
N-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]formamide
CID 156561074
1-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 2400583
[4-(3-hydroxyoxetan-3-yl)phenyl]-[6-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone
CID 156537893
(4-morpholin-4-ylphenyl)-[4-[[4-(trifluoromethyl)phenyl]diazenyl]phenyl]diazene
CID 88874788
4-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]piperazin-1-yl]sulfinyloxane-4-carboxamide
CID 142824899
methyl 5-morpholin-4-yl-2-[[2-[4-(trifluoromethyl)phenyl]cyclopropanecarbonyl]amino]benzoate
CID 134033515
[4-[difluoro-[4-(trifluoromethyl)phenyl]methyl]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533266
[4-(3-hydroxyoxetan-3-yl)phenyl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533378
2-morpholin-4-yl-5-(trifluoromethyl)benzamide
CID 69272412
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 175289276) is 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)C(c2cc(N3CCOCC3)cc(C3(O)COC3)c2)C1.
What is the InChIKey of 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is NRBVPARSWCWFLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F3N3O4/c27-26(28,29)19-1-3-21(4-2-19)32-6-5-17(24(30)33)13-23(32)18-11-20(25(34)15-36-16-25)14-22(12-18)31-7-9-35-10-8-31/h1-4,11-12,14,17,23,34H,5-10,13,15-16H2,(H2,30,33).
What are the key properties of 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 505.54 g/mol, XLogP of 3.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxyoxetan-3-yl)-5-morpholin-4-ylphenyl]-1-[4-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 175289276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).