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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-ethyl-N-(2-hydroxy-2-methylpropyl)piperidine-3-carboxamide
CID 136512107
1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 42950662
N-ethyl-1-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 71986627
2-[3-(diethylcarbamoyl)piperidin-1-yl]acetic acid;hydrochloride
CID 67009761
(3S)-N-ethyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 124516725
2-[3-[propyl(2,2,2-trifluoroethyl)carbamoyl]piperidin-1-yl]acetic acid;hydrochloride
CID 119923251
(3R)-1-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]piperidine-3-carboxylic acid
CID 81120005
(3R)-N-ethyl-1-[(3S,5R)-5-methyl-2-oxooxolan-3-yl]-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129424922
1-(4-aminopentanoyl)-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 120563518
(3R)-1-[(1R,2R)-2-aminocyclopentanecarbonyl]-N-ethyl-N-(2,2,2-trifluoroethyl)piperidine-3-carboxamide
CID 129434566
(3R)-1-[[4-[[(3R)-3-(diethylcarbamoyl)piperidin-1-yl]methyl]phenyl]methyl]-N,N-diethylpiperidine-3-carboxamide;dihydrobromide
CID 3072460
N-ethyl-N-(2-hydroxy-2-methylpropyl)azetidine-3-carboxamide
CID 79379562

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).