N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

C15H27F3N2O3 — CID 71968507

IUPACN-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O3/c1-10(9-14(2,3)23-4)19-13(22)20-7-5-11(6-8-20)12(21)15(16,17)18/h10-12,21H,5-9H2,1-4H3,(H,19,22)
InChIKeyXKHXJCXUBHZPAP-UHFFFAOYSA-N
MW340.39 g/mol
LogP2.53
Rot. Bonds5

About N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide

N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (PubChem CID 71968507) has the molecular formula C15H27F3N2O3 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
PubChem CID71968507
Molecular FormulaC15H27F3N2O3
Molecular Weight340.39 g/mol
Exact Mass340.20
IUPAC NameN-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide
SMILESCOC(C)(C)CC(C)NC(=O)N1CCC(C(O)C(F)(F)F)CC1
InChIInChI=1S/C15H27F3N2O3/c1-10(9-14(2,3)23-4)19-13(22)20-7-5-11(6-8-20)12(21)15(16,17)18/h10-12,21H,5-9H2,1-4H3,(H,19,22)
InChIKeyXKHXJCXUBHZPAP-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The IUPAC name of N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide (CID 71968507) is N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The canonical SMILES for N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is COC(C)(C)CC(C)NC(=O)N1CCC(C(O)C(F)(F)F)CC1.
What is the InChIKey of N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
The InChIKey is XKHXJCXUBHZPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O3/c1-10(9-14(2,3)23-4)19-13(22)20-7-5-11(6-8-20)12(21)15(16,17)18/h10-12,21H,5-9H2,1-4H3,(H,19,22).
What are the key properties of N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide?
N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-4-methylpentan-2-yl)-4-(2,2,2-trifluoro-1-hydroxyethyl)piperidine-1-carboxamide is sourced from PubChem (CID 71968507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).