N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

C15H19F3N2O2 — CID 119313998

IUPACN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-22-12-3-2-11(13(8-12)15(16,17)18)9-20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21)
InChIKeyXEMIHGWRZUXBTO-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.33
Rot. Bonds4

About N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide

N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (PubChem CID 119313998) has the molecular formula C15H19F3N2O2 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
PubChem CID119313998
Molecular FormulaC15H19F3N2O2
Molecular Weight316.32 g/mol
Exact Mass316.14
IUPAC NameN-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide
SMILESCOc1ccc(CNC(=O)C2CCNCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H19F3N2O2/c1-22-12-3-2-11(13(8-12)15(16,17)18)9-20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21)
InChIKeyXEMIHGWRZUXBTO-UHFFFAOYSA-N
XLogP2.33
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide (CID 119313998) is N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is COc1ccc(CNC(=O)C2CCNCC2)c(C(F)(F)F)c1.
What is the InChIKey of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
The InChIKey is XEMIHGWRZUXBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O2/c1-22-12-3-2-11(13(8-12)15(16,17)18)9-20-14(21)10-4-6-19-7-5-10/h2-3,8,10,19H,4-7,9H2,1H3,(H,20,21).
What are the key properties of N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide?
N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 119313998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).