N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide

C14H23F3N2O2 — CID 126570707

IUPACN-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide
SMILESCCC(C1CCN(C(=O)C(F)(F)F)CC1)N(CC)C(C)=O
InChIInChI=1S/C14H23F3N2O2/c1-4-12(19(5-2)10(3)20)11-6-8-18(9-7-11)13(21)14(15,16)17/h11-12H,4-9H2,1-3H3
InChIKeyVQVNUJHFWAXITA-UHFFFAOYSA-N
MW308.34 g/mol
LogP2.43
Rot. Bonds4

About N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide

N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide (PubChem CID 126570707) has the molecular formula C14H23F3N2O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide.

Molecular Properties

Compound NameN-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide
PubChem CID126570707
Molecular FormulaC14H23F3N2O2
Molecular Weight308.34 g/mol
Exact Mass308.17
IUPAC NameN-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide
SMILESCCC(C1CCN(C(=O)C(F)(F)F)CC1)N(CC)C(C)=O
InChIInChI=1S/C14H23F3N2O2/c1-4-12(19(5-2)10(3)20)11-6-8-18(9-7-11)13(21)14(15,16)17/h11-12H,4-9H2,1-3H3
InChIKeyVQVNUJHFWAXITA-UHFFFAOYSA-N
XLogP2.43
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide?
The IUPAC name of N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide (CID 126570707) is N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide.
What is the SMILES notation for N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide?
The canonical SMILES for N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide is CCC(C1CCN(C(=O)C(F)(F)F)CC1)N(CC)C(C)=O.
What is the InChIKey of N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide?
The InChIKey is VQVNUJHFWAXITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O2/c1-4-12(19(5-2)10(3)20)11-6-8-18(9-7-11)13(21)14(15,16)17/h11-12H,4-9H2,1-3H3.
What are the key properties of N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide?
N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide has a molecular weight of 308.34 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propyl]acetamide is sourced from PubChem (CID 126570707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).