N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide

C11H17F3N2O2 — CID 118691310

IUPACN-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide
SMILESCCCC(=O)NN1CCC(CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O2/c1-2-3-9(17)15-16-5-4-8(6-10(16)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyPOQCOTLKPXNIBT-UHFFFAOYSA-N
MW266.26 g/mol
LogP2.01
Rot. Bonds4

About N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide

N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide (PubChem CID 118691310) has the molecular formula C11H17F3N2O2 and a molecular weight of 266.26 g/mol. Its IUPAC name is N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide
PubChem CID118691310
Molecular FormulaC11H17F3N2O2
Molecular Weight266.26 g/mol
Exact Mass266.12
IUPAC NameN-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide
SMILESCCCC(=O)NN1CCC(CC(F)(F)F)CC1=O
InChIInChI=1S/C11H17F3N2O2/c1-2-3-9(17)15-16-5-4-8(6-10(16)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17)
InChIKeyPOQCOTLKPXNIBT-UHFFFAOYSA-N
XLogP2.01
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide?
The IUPAC name of N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide (CID 118691310) is N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide.
What is the SMILES notation for N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide?
The canonical SMILES for N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide is CCCC(=O)NN1CCC(CC(F)(F)F)CC1=O.
What is the InChIKey of N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide?
The InChIKey is POQCOTLKPXNIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O2/c1-2-3-9(17)15-16-5-4-8(6-10(16)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,15,17).
What are the key properties of N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide?
N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide has a molecular weight of 266.26 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-4-(2,2,2-trifluoroethyl)piperidin-1-yl]butanamide is sourced from PubChem (CID 118691310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).