N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane

C15H30F2N2O2 — CID 154670627

IUPACN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane
SMILESCC.COCCCCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2.C2H6/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2;1-2/h12H,3-10H2,1-2H3,(H,16,18);1-2H3
InChIKeyUVCZENAVGWIZQI-UHFFFAOYSA-N
MW308.41 g/mol
LogP2.67
Rot. Bonds7

About N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane

N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane (PubChem CID 154670627) has the molecular formula C15H30F2N2O2 and a molecular weight of 308.41 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane
PubChem CID154670627
Molecular FormulaC15H30F2N2O2
Molecular Weight308.41 g/mol
Exact Mass308.23
IUPAC NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane
SMILESCC.COCCCCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2.C2H6/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2;1-2/h12H,3-10H2,1-2H3,(H,16,18);1-2H3
InChIKeyUVCZENAVGWIZQI-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane?
The IUPAC name of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane (CID 154670627) is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane.
What is the SMILES notation for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane?
The canonical SMILES for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane is CC.COCCCCCN1CCC(NC(C)=O)C(F)(F)C1.
What is the InChIKey of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane?
The InChIKey is UVCZENAVGWIZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2.C2H6/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2;1-2/h12H,3-10H2,1-2H3,(H,16,18);1-2H3.
What are the key properties of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane?
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane has a molecular weight of 308.41 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane is sourced from PubChem (CID 154670627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).