4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C23H22F3N3O2 — CID 130451193

IUPAC4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30)
InChIKeyQEMFEXNNXOLBRG-UHFFFAOYSA-N
MW429.44 g/mol
LogP5.62
Rot. Bonds4

About 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 130451193) has the molecular formula C23H22F3N3O2 and a molecular weight of 429.44 g/mol. Its IUPAC name is 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID130451193
Molecular FormulaC23H22F3N3O2
Molecular Weight429.44 g/mol
Exact Mass429.17
IUPAC Name4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(Cc2cnc3ccccc3c2)CC1
InChIInChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30)
InChIKeyQEMFEXNNXOLBRG-UHFFFAOYSA-N
XLogP5.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.44
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 130451193) is 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)N1CCC(Cc2cnc3ccccc3c2)CC1.
What is the InChIKey of 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is QEMFEXNNXOLBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30).
What are the key properties of 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 429.44 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(quinolin-3-ylmethyl)-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 130451193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).