2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid

C11H19F3N2O4 — CID 68877153

IUPAC2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(OC1CCNCC1)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-9(2,8(10)12)13-7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7,11H,3-6H2,1-2H3,(H2,10,12);(H,6,7)
InChIKeyZMRMYZCJTQQNKB-UHFFFAOYSA-N
MW300.28 g/mol
LogP0.65
Rot. Bonds3

About 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid

2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid (PubChem CID 68877153) has the molecular formula C11H19F3N2O4 and a molecular weight of 300.28 g/mol. Its IUPAC name is 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid
PubChem CID68877153
Molecular FormulaC11H19F3N2O4
Molecular Weight300.28 g/mol
Exact Mass300.13
IUPAC Name2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid
SMILESCC(C)(OC1CCNCC1)C(N)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C9H18N2O2.C2HF3O2/c1-9(2,8(10)12)13-7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7,11H,3-6H2,1-2H3,(H2,10,12);(H,6,7)
InChIKeyZMRMYZCJTQQNKB-UHFFFAOYSA-N
XLogP0.65
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid (CID 68877153) is 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid is CC(C)(OC1CCNCC1)C(N)=O.O=C(O)C(F)(F)F.
What is the InChIKey of 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid?
The InChIKey is ZMRMYZCJTQQNKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2.C2HF3O2/c1-9(2,8(10)12)13-7-3-5-11-6-4-7;3-2(4,5)1(6)7/h7,11H,3-6H2,1-2H3,(H2,10,12);(H,6,7).
What are the key properties of 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid?
2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid has a molecular weight of 300.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-piperidin-4-yloxypropanamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 68877153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).