N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

C14H25F3N2O3 — CID 155130926

IUPACN-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC(C)(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-10(15)14(9-12(2,3)4)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h11,13H,5-9H2,1-4H3;(H,6,7)
InChIKeyTWZDVQQSOGTECE-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.27
Rot. Bonds2

About N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid

N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155130926) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155130926
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC NameN-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid
SMILESCC(=O)N(CC(C)(C)C)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-10(15)14(9-12(2,3)4)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h11,13H,5-9H2,1-4H3;(H,6,7)
InChIKeyTWZDVQQSOGTECE-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid (CID 155130926) is N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is CC(=O)N(CC(C)(C)C)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is TWZDVQQSOGTECE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2HF3O2/c1-10(15)14(9-12(2,3)4)11-5-7-13-8-6-11;3-2(4,5)1(6)7/h11,13H,5-9H2,1-4H3;(H,6,7).
What are the key properties of N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid?
N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 326.36 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-piperidin-4-ylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155130926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).