5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

C24H27F3N2O2 — CID 67940439

IUPAC5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCCC(Cc3ccccc3)C2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)20-9-4-10-21(15-20)29-17-22(31-23(29)30)11-13-28-12-5-8-19(16-28)14-18-6-2-1-3-7-18/h1-4,6-7,9-10,15,19,22H,5,8,11-14,16-17H2
InChIKeyKEMZROXWLCARDK-UHFFFAOYSA-N
MW432.49 g/mol
LogP5.38
Rot. Bonds6

About 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one

5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 67940439) has the molecular formula C24H27F3N2O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID67940439
Molecular FormulaC24H27F3N2O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CCN2CCCC(Cc3ccccc3)C2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H27F3N2O2/c25-24(26,27)20-9-4-10-21(15-20)29-17-22(31-23(29)30)11-13-28-12-5-8-19(16-28)14-18-6-2-1-3-7-18/h1-4,6-7,9-10,15,19,22H,5,8,11-14,16-17H2
InChIKeyKEMZROXWLCARDK-UHFFFAOYSA-N
XLogP5.38
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.49
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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(R)-quinuclidin-3-yl benzyl(4-fluorophenyl)carbamate
CID 9946632
5-Hexyl-3-m-tolyloxazolidin-2-one
CID 44155420
(R)-quinuclidin-3-yl 3-fluorobenzyl(3-fluorophenyl)carbamate
CID 54585743
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[[2-(morpholin-4-yl)-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
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2-Oxazolidinone, 5-hydroxymethyl-3-(m-trifluoromethylphenyl)-
CID 207130
3-[2-Oxo-2-(3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}-1-piperidinyl)ethyl]-1,3-oxazolidin-2-one
CID 24817330
1,1,1,3,3,3-hexafluoropropan-2-yl 4-[[2-[(3R)-3-hydroxypyrrolidin-1-yl]-4-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate
CID 155512542

Frequently Asked Questions

What is the IUPAC name of 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 67940439) is 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CCN2CCCC(Cc3ccccc3)C2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is KEMZROXWLCARDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F3N2O2/c25-24(26,27)20-9-4-10-21(15-20)29-17-22(31-23(29)30)11-13-28-12-5-8-19(16-28)14-18-6-2-1-3-7-18/h1-4,6-7,9-10,15,19,22H,5,8,11-14,16-17H2.
What are the key properties of 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 432.49 g/mol, XLogP of 5.38, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3-benzylpiperidin-1-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 67940439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).