1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone

C25H23F3N2O3 — CID 155355480

IUPAC1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C25H23F3N2O3/c1-16(31)23-14-21(24(32)30-11-3-2-4-12-30)20-13-19(9-10-22(20)29-23)33-15-17-5-7-18(8-6-17)25(26,27)28/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyPOIYOFBPPCRLNS-UHFFFAOYSA-N
MW456.46 g/mol
LogP5.66
Rot. Bonds5

About 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone

1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone (PubChem CID 155355480) has the molecular formula C25H23F3N2O3 and a molecular weight of 456.46 g/mol. Its IUPAC name is 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone
PubChem CID155355480
Molecular FormulaC25H23F3N2O3
Molecular Weight456.46 g/mol
Exact Mass456.17
IUPAC Name1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone
SMILESCC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)cc3)ccc2n1
InChIInChI=1S/C25H23F3N2O3/c1-16(31)23-14-21(24(32)30-11-3-2-4-12-30)20-13-19(9-10-22(20)29-23)33-15-17-5-7-18(8-6-17)25(26,27)28/h5-10,13-14H,2-4,11-12,15H2,1H3
InChIKeyPOIYOFBPPCRLNS-UHFFFAOYSA-N
XLogP5.66
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.46
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone?
The IUPAC name of 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone (CID 155355480) is 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone.
What is the SMILES notation for 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone?
The canonical SMILES for 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone is CC(=O)c1cc(C(=O)N2CCCCC2)c2cc(OCc3ccc(C(F)(F)F)cc3)ccc2n1.
What is the InChIKey of 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone?
The InChIKey is POIYOFBPPCRLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O3/c1-16(31)23-14-21(24(32)30-11-3-2-4-12-30)20-13-19(9-10-22(20)29-23)33-15-17-5-7-18(8-6-17)25(26,27)28/h5-10,13-14H,2-4,11-12,15H2,1H3.
What are the key properties of 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone?
1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone has a molecular weight of 456.46 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidine-1-carbonyl)-6-[[4-(trifluoromethyl)phenyl]methoxy]quinolin-2-yl]ethanone is sourced from PubChem (CID 155355480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).