N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

C22H23F3N2O4 — CID 164533355

IUPACN-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C2(O)COC2)c1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)15-4-6-18(7-5-15)31-19-8-10-27(11-9-19)20(28)26-17-3-1-2-16(12-17)21(29)13-30-14-21/h1-7,12,19,29H,8-11,13-14H2,(H,26,28)
InChIKeyXGFSRGHPRDUKFB-UHFFFAOYSA-N
MW436.43 g/mol
LogP4.00
Rot. Bonds4

About N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide

N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (PubChem CID 164533355) has the molecular formula C22H23F3N2O4 and a molecular weight of 436.43 g/mol. Its IUPAC name is N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
PubChem CID164533355
Molecular FormulaC22H23F3N2O4
Molecular Weight436.43 g/mol
Exact Mass436.16
IUPAC NameN-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
SMILESO=C(Nc1cccc(C2(O)COC2)c1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C22H23F3N2O4/c23-22(24,25)15-4-6-18(7-5-15)31-19-8-10-27(11-9-19)20(28)26-17-3-1-2-16(12-17)21(29)13-30-14-21/h1-7,12,19,29H,8-11,13-14H2,(H,26,28)
InChIKeyXGFSRGHPRDUKFB-UHFFFAOYSA-N
XLogP4.00
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(3-hydroxyoxetan-3-yl)-3,5-dimethylphenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533320
N-phenyl-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 12999550
4-(3-hydroxyoxetan-3-yl)-N-[4-[4-(trifluoromethyl)phenoxy]cyclohexyl]benzamide
CID 164533270
3-[4-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]sulfanylphenyl]oxetan-3-ol
CID 167117230
[4-(3-hydroxyoxetan-3-yl)phenyl]-[3-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533378
[4-(3-hydroxyoxetan-3-yl)-3-(2-methoxyethoxy)phenyl]-[4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]methanone
CID 164533322
N-(3-chlorophenyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]piperidine-1-carboxamide
CID 71798778
N-[3-(benzylcarbamoyl)phenyl]-4-[3-(trifluoromethyl)phenoxy]piperidine-1-carboxamide
CID 145485865
4-hydroxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 4251973
[3-chloro-4-[4-(trifluoromethyl)phenoxy]piperidin-1-yl]-[4-(3-hydroxyoxetan-3-yl)phenyl]methanone
CID 164533293
[4-(3-hydroxyoxetan-3-yl)phenyl]-[4-[4-(trifluoromethyl)anilino]piperidin-1-yl]methanone
CID 164533483
4-(2,6-dimethylpyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 121017939

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The IUPAC name of N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide (CID 164533355) is N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide.
What is the SMILES notation for N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The canonical SMILES for N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is O=C(Nc1cccc(C2(O)COC2)c1)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
The InChIKey is XGFSRGHPRDUKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F3N2O4/c23-22(24,25)15-4-6-18(7-5-15)31-19-8-10-27(11-9-19)20(28)26-17-3-1-2-16(12-17)21(29)13-30-14-21/h1-7,12,19,29H,8-11,13-14H2,(H,26,28).
What are the key properties of N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide?
N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-hydroxyoxetan-3-yl)phenyl]-4-[4-(trifluoromethyl)phenoxy]piperidine-1-carboxamide is sourced from PubChem (CID 164533355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).