N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide

C15H27F3N2O — CID 43603359

IUPACN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide
SMILESCCCCCCCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H27F3N2O/c1-2-3-4-5-6-7-14(21)20(12-15(16,17)18)13-8-10-19-11-9-13/h13,19H,2-12H2,1H3
InChIKeyYUPONGDPDSLLDQ-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.49
Rot. Bonds8

About N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide

N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide (PubChem CID 43603359) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide.

Molecular Properties

Compound NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide
PubChem CID43603359
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC NameN-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide
SMILESCCCCCCCC(=O)N(CC(F)(F)F)C1CCNCC1
InChIInChI=1S/C15H27F3N2O/c1-2-3-4-5-6-7-14(21)20(12-15(16,17)18)13-8-10-19-11-9-13/h13,19H,2-12H2,1H3
InChIKeyYUPONGDPDSLLDQ-UHFFFAOYSA-N
XLogP3.49
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide?
The IUPAC name of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide (CID 43603359) is N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide.
What is the SMILES notation for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide?
The canonical SMILES for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide is CCCCCCCC(=O)N(CC(F)(F)F)C1CCNCC1.
What is the InChIKey of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide?
The InChIKey is YUPONGDPDSLLDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-2-3-4-5-6-7-14(21)20(12-15(16,17)18)13-8-10-19-11-9-13/h13,19H,2-12H2,1H3.
What are the key properties of N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide?
N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide has a molecular weight of 308.39 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-(2,2,2-trifluoroethyl)octanamide is sourced from PubChem (CID 43603359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).