N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide

C15H19F9N2O2 — CID 54083954

IUPACN-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CCCCN1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F9N2O2/c1-7(2)9(26-11(28)8-5-3-4-6-25-8)10(27)12(16,17)13(18,19)14(20,21)15(22,23)24/h7-9,25H,3-6H2,1-2H3,(H,26,28)
InChIKeyMPBWCTWYIGUGPM-UHFFFAOYSA-N
MW430.31 g/mol
LogP3.31
Rot. Bonds7

About N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide

N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide (PubChem CID 54083954) has the molecular formula C15H19F9N2O2 and a molecular weight of 430.31 g/mol. Its IUPAC name is N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide
PubChem CID54083954
Molecular FormulaC15H19F9N2O2
Molecular Weight430.31 g/mol
Exact Mass430.13
IUPAC NameN-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide
SMILESCC(C)C(NC(=O)C1CCCCN1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C15H19F9N2O2/c1-7(2)9(26-11(28)8-5-3-4-6-25-8)10(27)12(16,17)13(18,19)14(20,21)15(22,23)24/h7-9,25H,3-6H2,1-2H3,(H,26,28)
InChIKeyMPBWCTWYIGUGPM-UHFFFAOYSA-N
XLogP3.31
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.31
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide?
The IUPAC name of N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide (CID 54083954) is N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide.
What is the SMILES notation for N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide?
The canonical SMILES for N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide is CC(C)C(NC(=O)C1CCCCN1)C(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide?
The InChIKey is MPBWCTWYIGUGPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F9N2O2/c1-7(2)9(26-11(28)8-5-3-4-6-25-8)10(27)12(16,17)13(18,19)14(20,21)15(22,23)24/h7-9,25H,3-6H2,1-2H3,(H,26,28).
What are the key properties of N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide?
N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide has a molecular weight of 430.31 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,5,6,6,7,7,8,8,8-nonafluoro-2-methyl-4-oxooctan-3-yl)piperidine-2-carboxamide is sourced from PubChem (CID 54083954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).