N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid

C14H25F3N2O3 — CID 126511715

IUPACN-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCCC(C1CCNCC1)N(CC)C(C)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;3-2(4,5)1(6)7/h11-13H,4-9H2,1-3H3;(H,6,7)
InChIKeySNSAKMHMYKKYMQ-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.27
Rot. Bonds4

About N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid

N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 126511715) has the molecular formula C14H25F3N2O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID126511715
Molecular FormulaC14H25F3N2O3
Molecular Weight326.36 g/mol
Exact Mass326.18
IUPAC NameN-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCCC(C1CCNCC1)N(CC)C(C)=O.O=C(O)C(F)(F)F
InChIInChI=1S/C12H24N2O.C2HF3O2/c1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;3-2(4,5)1(6)7/h11-13H,4-9H2,1-3H3;(H,6,7)
InChIKeySNSAKMHMYKKYMQ-UHFFFAOYSA-N
XLogP2.27
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
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-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid (CID 126511715) is N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid is CCC(C1CCNCC1)N(CC)C(C)=O.O=C(O)C(F)(F)F.
What is the InChIKey of N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is SNSAKMHMYKKYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.C2HF3O2/c1-4-12(14(5-2)10(3)15)11-6-8-13-9-7-11;3-2(4,5)1(6)7/h11-13H,4-9H2,1-3H3;(H,6,7).
What are the key properties of N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid?
N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 326.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(1-piperidin-4-ylpropyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 126511715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).