N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

C13H21F3N2O2 — CID 102862832

IUPACN-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CN1)N(CCO)C1CCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-4-5-11(17-8-9)12(20)18(6-7-19)10-2-1-3-10/h9-11,17,19H,1-8H2
InChIKeyXWAQZISQWSHANO-UHFFFAOYSA-N
MW294.32 g/mol
LogP1.29
Rot. Bonds4

About N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 102862832) has the molecular formula C13H21F3N2O2 and a molecular weight of 294.32 g/mol. Its IUPAC name is N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID102862832
Molecular FormulaC13H21F3N2O2
Molecular Weight294.32 g/mol
Exact Mass294.16
IUPAC NameN-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESO=C(C1CCC(C(F)(F)F)CN1)N(CCO)C1CCC1
InChIInChI=1S/C13H21F3N2O2/c14-13(15,16)9-4-5-11(17-8-9)12(20)18(6-7-19)10-2-1-3-10/h9-11,17,19H,1-8H2
InChIKeyXWAQZISQWSHANO-UHFFFAOYSA-N
XLogP1.29
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-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-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 102862832) is N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is O=C(C1CCC(C(F)(F)F)CN1)N(CCO)C1CCC1.
What is the InChIKey of N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is XWAQZISQWSHANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O2/c14-13(15,16)9-4-5-11(17-8-9)12(20)18(6-7-19)10-2-1-3-10/h9-11,17,19H,1-8H2.
What are the key properties of N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-N-(2-hydroxyethyl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 102862832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).