2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide

C12H20F3N3O2 — CID 21059953

IUPAC2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
SMILESCC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)17-10(19)7-18(11(20)12(13,14)15)9-3-5-16-6-4-9/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyIBRARODYGTVRFW-UHFFFAOYSA-N
MW295.30 g/mol
LogP0.65
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide

2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide (PubChem CID 21059953) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
PubChem CID21059953
Molecular FormulaC12H20F3N3O2
Molecular Weight295.30 g/mol
Exact Mass295.15
IUPAC Name2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide
SMILESCC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCNCC1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)17-10(19)7-18(11(20)12(13,14)15)9-3-5-16-6-4-9/h8-9,16H,3-7H2,1-2H3,(H,17,19)
InChIKeyIBRARODYGTVRFW-UHFFFAOYSA-N
XLogP0.65
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide (CID 21059953) is 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide is CC(C)NC(=O)CN(C(=O)C(F)(F)F)C1CCNCC1.
What is the InChIKey of 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide?
The InChIKey is IBRARODYGTVRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8(2)17-10(19)7-18(11(20)12(13,14)15)9-3-5-16-6-4-9/h8-9,16H,3-7H2,1-2H3,(H,17,19).
What are the key properties of 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide?
2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide has a molecular weight of 295.30 g/mol, XLogP of 0.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-N-piperidin-4-ylacetamide is sourced from PubChem (CID 21059953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).