4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

C15H19F3N2O3 — CID 99842433

IUPAC4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O3/c1-19(2)13(21)20-8-6-14(22,7-9-20)11-4-3-5-12(10-11)23-15(16,17)18/h3-5,10,22H,6-9H2,1-2H3
InChIKeyIQEXHDPHFQPZJV-UHFFFAOYSA-N
MW332.32 g/mol
LogP2.55
Rot. Bonds2

About 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide

4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (PubChem CID 99842433) has the molecular formula C15H19F3N2O3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
PubChem CID99842433
Molecular FormulaC15H19F3N2O3
Molecular Weight332.32 g/mol
Exact Mass332.13
IUPAC Name4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide
SMILESCN(C)C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1
InChIInChI=1S/C15H19F3N2O3/c1-19(2)13(21)20-8-6-14(22,7-9-20)11-4-3-5-12(10-11)23-15(16,17)18/h3-5,10,22H,6-9H2,1-2H3
InChIKeyIQEXHDPHFQPZJV-UHFFFAOYSA-N
XLogP2.55
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide (CID 99842433) is 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is CN(C)C(=O)N1CCC(O)(c2cccc(OC(F)(F)F)c2)CC1.
What is the InChIKey of 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
The InChIKey is IQEXHDPHFQPZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2O3/c1-19(2)13(21)20-8-6-14(22,7-9-20)11-4-3-5-12(10-11)23-15(16,17)18/h3-5,10,22H,6-9H2,1-2H3.
What are the key properties of 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide?
4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide has a molecular weight of 332.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N,N-dimethyl-4-[3-(trifluoromethoxy)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 99842433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).