N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

C14H25F3N2O2 — CID 111596383

IUPACN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-4-19(9-13(2,3)21)12(20)11-6-5-7-18(8-11)10-14(15,16)17/h11,21H,4-10H2,1-3H3
InChIKeyLIJUHCVBAFHWHD-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.88
Rot. Bonds5

About N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (PubChem CID 111596383) has the molecular formula C14H25F3N2O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
PubChem CID111596383
Molecular FormulaC14H25F3N2O2
Molecular Weight310.36 g/mol
Exact Mass310.19
IUPAC NameN-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
SMILESCCN(CC(C)(C)O)C(=O)C1CCCN(CC(F)(F)F)C1
InChIInChI=1S/C14H25F3N2O2/c1-4-19(9-13(2,3)21)12(20)11-6-5-7-18(8-11)10-14(15,16)17/h11,21H,4-10H2,1-3H3
InChIKeyLIJUHCVBAFHWHD-UHFFFAOYSA-N
XLogP1.88
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The IUPAC name of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide (CID 111596383) is N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The canonical SMILES for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is CCN(CC(C)(C)O)C(=O)C1CCCN(CC(F)(F)F)C1.
What is the InChIKey of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
The InChIKey is LIJUHCVBAFHWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O2/c1-4-19(9-13(2,3)21)12(20)11-6-5-7-18(8-11)10-14(15,16)17/h11,21H,4-10H2,1-3H3.
What are the key properties of N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide?
N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-hydroxy-2-methylpropyl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide is sourced from PubChem (CID 111596383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).