N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide

C9H13F3N2O2 — CID 59268324

IUPACN-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-7(3-5-14)13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16)
InChIKeyFGGXFIBMYDTRSS-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.68
Rot. Bonds1

About N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide

N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide (PubChem CID 59268324) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide
PubChem CID59268324
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide
SMILESCC(=O)N1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-7(3-5-14)13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16)
InChIKeyFGGXFIBMYDTRSS-UHFFFAOYSA-N
XLogP0.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide (CID 59268324) is N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide is CC(=O)N1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
The InChIKey is FGGXFIBMYDTRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(15)14-4-2-7(3-5-14)13-8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,16).
What are the key properties of N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide?
N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide has a molecular weight of 238.21 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetylpiperidin-4-yl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 59268324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).