N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

C12H15F9N2O — CID 3089727

IUPACN-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCN1CCCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C12H15F9N2O/c1-2-23-5-3-4-7(6-23)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3,(H,22,24)
InChIKeyANNSWZNBLLZOMW-UHFFFAOYSA-N
MW374.25 g/mol
LogP3.06
Rot. Bonds5

About N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide

N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (PubChem CID 3089727) has the molecular formula C12H15F9N2O and a molecular weight of 374.25 g/mol. Its IUPAC name is N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.

Molecular Properties

Compound NameN-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
PubChem CID3089727
Molecular FormulaC12H15F9N2O
Molecular Weight374.25 g/mol
Exact Mass374.10
IUPAC NameN-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide
SMILESCCN1CCCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1
InChIInChI=1S/C12H15F9N2O/c1-2-23-5-3-4-7(6-23)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3,(H,22,24)
InChIKeyANNSWZNBLLZOMW-UHFFFAOYSA-N
XLogP3.06
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The IUPAC name of N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide (CID 3089727) is N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide.
What is the SMILES notation for N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The canonical SMILES for N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is CCN1CCCC(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C1.
What is the InChIKey of N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
The InChIKey is ANNSWZNBLLZOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F9N2O/c1-2-23-5-3-4-7(6-23)22-8(24)9(13,14)10(15,16)11(17,18)12(19,20)21/h7H,2-6H2,1H3,(H,22,24).
What are the key properties of N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide?
N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide has a molecular weight of 374.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethylpiperidin-3-yl)-2,2,3,3,4,4,5,5,5-nonafluoropentanamide is sourced from PubChem (CID 3089727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).