5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one

C24H25F3N2O — CID 91521406

IUPAC5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one
SMILESO=c1ccc2c(N3CCC(CCCc4ccc(C(F)(F)F)cc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)19-9-7-17(8-10-19)3-1-4-18-13-15-29(16-14-18)22-6-2-5-21-20(22)11-12-23(30)28-21/h2,5-12,18H,1,3-4,13-16H2,(H,28,30)
InChIKeyZTJBELHHDFJFDS-UHFFFAOYSA-N
MW414.47 g/mol
LogP5.79
Rot. Bonds5

About 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one

5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one (PubChem CID 91521406) has the molecular formula C24H25F3N2O and a molecular weight of 414.47 g/mol. Its IUPAC name is 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one.

Molecular Properties

Compound Name5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one
PubChem CID91521406
Molecular FormulaC24H25F3N2O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one
SMILESO=c1ccc2c(N3CCC(CCCc4ccc(C(F)(F)F)cc4)CC3)cccc2[nH]1
InChIInChI=1S/C24H25F3N2O/c25-24(26,27)19-9-7-17(8-10-19)3-1-4-18-13-15-29(16-14-18)22-6-2-5-21-20(22)11-12-23(30)28-21/h2,5-12,18H,1,3-4,13-16H2,(H,28,30)
InChIKeyZTJBELHHDFJFDS-UHFFFAOYSA-N
XLogP5.79
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.47
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one?
The IUPAC name of 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one (CID 91521406) is 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one.
What is the SMILES notation for 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one?
The canonical SMILES for 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one is O=c1ccc2c(N3CCC(CCCc4ccc(C(F)(F)F)cc4)CC3)cccc2[nH]1.
What is the InChIKey of 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one?
The InChIKey is ZTJBELHHDFJFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N2O/c25-24(26,27)19-9-7-17(8-10-19)3-1-4-18-13-15-29(16-14-18)22-6-2-5-21-20(22)11-12-23(30)28-21/h2,5-12,18H,1,3-4,13-16H2,(H,28,30).
What are the key properties of 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one?
5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one has a molecular weight of 414.47 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-[4-(trifluoromethyl)phenyl]propyl]piperidin-1-yl]-1H-quinolin-2-one is sourced from PubChem (CID 91521406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).