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

C22H20F3N3O — CID 11696967

IUPACN-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O/c23-22(24,25)17-5-3-6-19(13-17)28-10-8-15(9-11-28)21(29)27-18-12-16-4-1-2-7-20(16)26-14-18/h1-7,12-15H,8-11H2,(H,27,29)
InChIKeyUUBMKYMKHNKKME-UHFFFAOYSA-N
MW399.42 g/mol
LogP5.11
Rot. Bonds3

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

N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (PubChem CID 11696967) has the molecular formula C22H20F3N3O and a molecular weight of 399.42 g/mol. Its IUPAC name is N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
PubChem CID11696967
Molecular FormulaC22H20F3N3O
Molecular Weight399.42 g/mol
Exact Mass399.16
IUPAC NameN-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide
SMILESO=C(Nc1cnc2ccccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C22H20F3N3O/c23-22(24,25)17-5-3-6-19(13-17)28-10-8-15(9-11-28)21(29)27-18-12-16-4-1-2-7-20(16)26-14-18/h1-7,12-15H,8-11H2,(H,27,29)
InChIKeyUUBMKYMKHNKKME-UHFFFAOYSA-N
XLogP5.11
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.42
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The IUPAC name of N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide (CID 11696967) is N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide.
What is the SMILES notation for N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The canonical SMILES for N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is O=C(Nc1cnc2ccccc2c1)C1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
The InChIKey is UUBMKYMKHNKKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O/c23-22(24,25)17-5-3-6-19(13-17)28-10-8-15(9-11-28)21(29)27-18-12-16-4-1-2-7-20(16)26-14-18/h1-7,12-15H,8-11H2,(H,27,29).
What are the key properties of N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide?
N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide has a molecular weight of 399.42 g/mol, XLogP of 5.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-quinolin-3-yl-1-[3-(trifluoromethyl)phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 11696967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).