1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide

C14H19F3N4O — CID 58228280

IUPAC1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-2-1-10(8-20-12)11(7-18)21-5-3-9(4-6-21)13(19)22/h1-2,8-9,11H,3-7,18H2,(H2,19,22)
InChIKeyFIAZKINNHVIERG-UHFFFAOYSA-N
MW316.33 g/mol
LogP1.30
Rot. Bonds4

About 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide

1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide (PubChem CID 58228280) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide
PubChem CID58228280
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC Name1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide
SMILESNCC(c1ccc(C(F)(F)F)nc1)N1CCC(C(N)=O)CC1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-2-1-10(8-20-12)11(7-18)21-5-3-9(4-6-21)13(19)22/h1-2,8-9,11H,3-7,18H2,(H2,19,22)
InChIKeyFIAZKINNHVIERG-UHFFFAOYSA-N
XLogP1.30
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-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 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide (CID 58228280) is 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide is NCC(c1ccc(C(F)(F)F)nc1)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide?
The InChIKey is FIAZKINNHVIERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)12-2-1-10(8-20-12)11(7-18)21-5-3-9(4-6-21)13(19)22/h1-2,8-9,11H,3-7,18H2,(H2,19,22).
What are the key properties of 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide?
1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide has a molecular weight of 316.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-[6-(trifluoromethyl)-3-pyridinyl]ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 58228280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).