2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

C13H21F6N3O5 — CID 157262476

IUPAC2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O.2C2HF3O2/c1-11(2)9(13)7-12-5-3-8(10)4-6-12;2*3-2(4,5)1(6)7/h8H,3-7,10H2,1-2H3;2*(H,6,7)
InChIKeyAXPSKADGSMAJEN-UHFFFAOYSA-N
MW413.32 g/mol
LogP0.76
Rot. Bonds2

About 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)

2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (PubChem CID 157262476) has the molecular formula C13H21F6N3O5 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).

Molecular Properties

Compound Name2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
PubChem CID157262476
Molecular FormulaC13H21F6N3O5
Molecular Weight413.32 g/mol
Exact Mass413.14
IUPAC Name2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)
SMILESCN(C)C(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
InChIInChI=1S/C9H19N3O.2C2HF3O2/c1-11(2)9(13)7-12-5-3-8(10)4-6-12;2*3-2(4,5)1(6)7/h8H,3-7,10H2,1-2H3;2*(H,6,7)
InChIKeyAXPSKADGSMAJEN-UHFFFAOYSA-N
XLogP0.76
TPSA124.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The IUPAC name of 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) (CID 157262476) is 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid).
What is the SMILES notation for 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The canonical SMILES for 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is CN(C)C(=O)CN1CCC(N)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.
What is the InChIKey of 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
The InChIKey is AXPSKADGSMAJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O.2C2HF3O2/c1-11(2)9(13)7-12-5-3-8(10)4-6-12;2*3-2(4,5)1(6)7/h8H,3-7,10H2,1-2H3;2*(H,6,7).
What are the key properties of 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid)?
2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 413.32 g/mol, XLogP of 0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminopiperidin-1-yl)-N,N-dimethylacetamide;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 157262476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).