N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid

C12H21F3N2O3 — CID 155407878

IUPACN-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid
SMILESCCCN(C(C)=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-3-8-12(9(2)13)10-4-6-11-7-5-10;3-2(4,5)1(6)7/h10-11H,3-8H2,1-2H3;(H,6,7)
InChIKeyJCLIZHJHTRAUQK-UHFFFAOYSA-N
MW298.31 g/mol
LogP1.63
Rot. Bonds3

About N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid

N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155407878) has the molecular formula C12H21F3N2O3 and a molecular weight of 298.31 g/mol. Its IUPAC name is N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155407878
Molecular FormulaC12H21F3N2O3
Molecular Weight298.31 g/mol
Exact Mass298.15
IUPAC NameN-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid
SMILESCCCN(C(C)=O)C1CCNCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C10H20N2O.C2HF3O2/c1-3-8-12(9(2)13)10-4-6-11-7-5-10;3-2(4,5)1(6)7/h10-11H,3-8H2,1-2H3;(H,6,7)
InChIKeyJCLIZHJHTRAUQK-UHFFFAOYSA-N
XLogP1.63
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid (CID 155407878) is N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid is CCCN(C(C)=O)C1CCNCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is JCLIZHJHTRAUQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C2HF3O2/c1-3-8-12(9(2)13)10-4-6-11-7-5-10;3-2(4,5)1(6)7/h10-11H,3-8H2,1-2H3;(H,6,7).
What are the key properties of N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid?
N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 298.31 g/mol, XLogP of 1.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-propylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155407878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).