N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

C9H13F3N2O2 — CID 112688423

IUPACN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)13-7-2-4-14(5-3-7)8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,15)
InChIKeyKUJFARDVMXQZOR-UHFFFAOYSA-N
MW238.21 g/mol
LogP0.68
Rot. Bonds1

About N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide

N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (PubChem CID 112688423) has the molecular formula C9H13F3N2O2 and a molecular weight of 238.21 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
PubChem CID112688423
Molecular FormulaC9H13F3N2O2
Molecular Weight238.21 g/mol
Exact Mass238.09
IUPAC NameN-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide
SMILESCC(=O)NC1CCN(C(=O)C(F)(F)F)CC1
InChIInChI=1S/C9H13F3N2O2/c1-6(15)13-7-2-4-14(5-3-7)8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,15)
InChIKeyKUJFARDVMXQZOR-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-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide (CID 112688423) is N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is CC(=O)NC1CCN(C(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
The InChIKey is KUJFARDVMXQZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O2/c1-6(15)13-7-2-4-14(5-3-7)8(16)9(10,11)12/h7H,2-5H2,1H3,(H,13,15).
What are the key properties of N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide?
N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide 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-(2,2,2-trifluoroacetyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 112688423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).