N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

C14H25F3N2O — CID 114908898

IUPACN-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-4-13(5-2,6-3)19-12(20)11-8-7-10(9-18-11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyKSPGPKXMPYCYPI-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.00
Rot. Bonds5

About N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide

N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (PubChem CID 114908898) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
PubChem CID114908898
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC NameN-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide
SMILESCCC(CC)(CC)NC(=O)C1CCC(C(F)(F)F)CN1
InChIInChI=1S/C14H25F3N2O/c1-4-13(5-2,6-3)19-12(20)11-8-7-10(9-18-11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20)
InChIKeyKSPGPKXMPYCYPI-UHFFFAOYSA-N
XLogP3.00
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(3-ethylpentan-3-yl)-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-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide (CID 114908898) is N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is CCC(CC)(CC)NC(=O)C1CCC(C(F)(F)F)CN1.
What is the InChIKey of N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
The InChIKey is KSPGPKXMPYCYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-4-13(5-2,6-3)19-12(20)11-8-7-10(9-18-11)14(15,16)17/h10-11,18H,4-9H2,1-3H3,(H,19,20).
What are the key properties of N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide?
N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylpentan-3-yl)-5-(trifluoromethyl)piperidine-2-carboxamide is sourced from PubChem (CID 114908898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).