N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

C10H14F3N3O — CID 23551843

IUPACN-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESN#CCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9(17)15-8-2-6-16(7-3-8)5-1-4-14/h8H,1-3,5-7H2,(H,15,17)
InChIKeyLAAXKQIDJCLGRN-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.04
Rot. Bonds3

About N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide

N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (PubChem CID 23551843) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
PubChem CID23551843
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide
SMILESN#CCCN1CCC(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C10H14F3N3O/c11-10(12,13)9(17)15-8-2-6-16(7-3-8)5-1-4-14/h8H,1-3,5-7H2,(H,15,17)
InChIKeyLAAXKQIDJCLGRN-UHFFFAOYSA-N
XLogP1.04
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide (CID 23551843) is N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is N#CCCN1CCC(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LAAXKQIDJCLGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c11-10(12,13)9(17)15-8-2-6-16(7-3-8)5-1-4-14/h8H,1-3,5-7H2,(H,15,17).
What are the key properties of N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide?
N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide has a molecular weight of 249.24 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-cyanoethyl)piperidin-4-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 23551843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).