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

C23H25F3N2O2 — CID 22157498

IUPAC5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)18-9-6-11-20(14-18)28-16-21(30-22(28)29)15-27-12-5-4-10-19(27)13-17-7-2-1-3-8-17/h1-3,6-9,11,14,19,21H,4-5,10,12-13,15-16H2
InChIKeyOBLLXOBHKRRWNR-UHFFFAOYSA-N
MW418.46 g/mol
LogP5.13
Rot. Bonds5

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

5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (PubChem CID 22157498) has the molecular formula C23H25F3N2O2 and a molecular weight of 418.46 g/mol. Its IUPAC name is 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
PubChem CID22157498
Molecular FormulaC23H25F3N2O2
Molecular Weight418.46 g/mol
Exact Mass418.19
IUPAC Name5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one
SMILESO=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H25F3N2O2/c24-23(25,26)18-9-6-11-20(14-18)28-16-21(30-22(28)29)15-27-12-5-4-10-19(27)13-17-7-2-1-3-8-17/h1-3,6-9,11,14,19,21H,4-5,10,12-13,15-16H2
InChIKeyOBLLXOBHKRRWNR-UHFFFAOYSA-N
XLogP5.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.46
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one (CID 22157498) is 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is O=C1OC(CN2CCCCC2Cc2ccccc2)CN1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
The InChIKey is OBLLXOBHKRRWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F3N2O2/c24-23(25,26)18-9-6-11-20(14-18)28-16-21(30-22(28)29)15-27-12-5-4-10-19(27)13-17-7-2-1-3-8-17/h1-3,6-9,11,14,19,21H,4-5,10,12-13,15-16H2.
What are the key properties of 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one?
5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one has a molecular weight of 418.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-benzylpiperidin-1-yl)methyl]-3-[3-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 22157498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).