2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide

C13H17F3N4O — CID 106747519

IUPAC2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-6-10(9(17)7-19-11)20-3-1-8(2-4-20)5-12(18)21/h6-8H,1-5,17H2,(H2,18,21)
InChIKeyRZTZQBQEYWSLGJ-UHFFFAOYSA-N
MW302.30 g/mol
LogP1.77
Rot. Bonds3

About 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide

2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide (PubChem CID 106747519) has the molecular formula C13H17F3N4O and a molecular weight of 302.30 g/mol. Its IUPAC name is 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide.

Molecular Properties

Compound Name2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
PubChem CID106747519
Molecular FormulaC13H17F3N4O
Molecular Weight302.30 g/mol
Exact Mass302.14
IUPAC Name2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide
SMILESNC(=O)CC1CCN(c2cc(C(F)(F)F)ncc2N)CC1
InChIInChI=1S/C13H17F3N4O/c14-13(15,16)11-6-10(9(17)7-19-11)20-3-1-8(2-4-20)5-12(18)21/h6-8H,1-5,17H2,(H2,18,21)
InChIKeyRZTZQBQEYWSLGJ-UHFFFAOYSA-N
XLogP1.77
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide?
The IUPAC name of 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide (CID 106747519) is 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide.
What is the SMILES notation for 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide?
The canonical SMILES for 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide is NC(=O)CC1CCN(c2cc(C(F)(F)F)ncc2N)CC1.
What is the InChIKey of 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide?
The InChIKey is RZTZQBQEYWSLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N4O/c14-13(15,16)11-6-10(9(17)7-19-11)20-3-1-8(2-4-20)5-12(18)21/h6-8H,1-5,17H2,(H2,18,21).
What are the key properties of 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide?
2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide has a molecular weight of 302.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-amino-2-(trifluoromethyl)-4-pyridinyl]piperidin-4-yl]acetamide is sourced from PubChem (CID 106747519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).