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

C13H24F2N2O2 — CID 154670628

IUPACN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
SMILESCOCCCCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2/h12H,3-10H2,1-2H3,(H,16,18)
InChIKeyYUVRXKCVDUYBNL-UHFFFAOYSA-N
MW278.34 g/mol
LogP1.65
Rot. Bonds7

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

N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide (PubChem CID 154670628) has the molecular formula C13H24F2N2O2 and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
PubChem CID154670628
Molecular FormulaC13H24F2N2O2
Molecular Weight278.34 g/mol
Exact Mass278.18
IUPAC NameN-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide
SMILESCOCCCCCN1CCC(NC(C)=O)C(F)(F)C1
InChIInChI=1S/C13H24F2N2O2/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2/h12H,3-10H2,1-2H3,(H,16,18)
InChIKeyYUVRXKCVDUYBNL-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.65
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?
The IUPAC name of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide (CID 154670628) is N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide is COCCCCCN1CCC(NC(C)=O)C(F)(F)C1.
What is the InChIKey of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide?
The InChIKey is YUVRXKCVDUYBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F2N2O2/c1-11(18)16-12-6-8-17(10-13(12,14)15)7-4-3-5-9-19-2/h12H,3-10H2,1-2H3,(H,16,18).
What are the key properties of N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide?
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide has a molecular weight of 278.34 g/mol, XLogP of 1.65, 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 is sourced from PubChem (CID 154670628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).