N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide

C16H30F2N2O2 — CID 166466836

IUPACN-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
SMILESCCOCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C16H30F2N2O2/c1-4-22-11-7-5-6-9-20-10-8-14(16(17,18)12-20)19-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,21)
InChIKeySMTUSSVGKJDRGA-UHFFFAOYSA-N
MW320.42 g/mol
LogP2.67
Rot. Bonds9

About N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide

N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide (PubChem CID 166466836) has the molecular formula C16H30F2N2O2 and a molecular weight of 320.42 g/mol. Its IUPAC name is N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
PubChem CID166466836
Molecular FormulaC16H30F2N2O2
Molecular Weight320.42 g/mol
Exact Mass320.23
IUPAC NameN-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
SMILESCCOCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C16H30F2N2O2/c1-4-22-11-7-5-6-9-20-10-8-14(16(17,18)12-20)19-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,21)
InChIKeySMTUSSVGKJDRGA-UHFFFAOYSA-N
XLogP2.67
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.42
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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Related Compounds

2-methyl-N-[1-(2,2,2-trifluoroacetyl)piperidin-4-yl]propanamide
CID 62728779
N-[1-(2,2-difluoro-5-methoxypentyl)piperidin-4-yl]propanamide
CID 154670178
N-[1-(5-ethoxypentyl)-3-fluoropiperidin-4-yl]-2-methylpropanamide
CID 154670228
N-[3,3-difluoro-1-(5-hydroxypentyl)piperidin-4-yl]-2-methylpropanamide;vanadium
CID 154670292
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]acetamide;ethane
CID 154670627
N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 154671027
N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 154671289
N-[3,3-difluoro-1-(5-methoxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 154671310
N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 154671318
N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
CID 154671336
N-(1-acetyl-3,3-difluoropiperidin-4-yl)-2-methylpropanamide
CID 155036845
N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
CID 156053515

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide (CID 166466836) is N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide is CCOCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1.
What is the InChIKey of N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
The InChIKey is SMTUSSVGKJDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O2/c1-4-22-11-7-5-6-9-20-10-8-14(16(17,18)12-20)19-15(21)13(2)3/h13-14H,4-12H2,1-3H3,(H,19,21).
What are the key properties of N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide?
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide has a molecular weight of 320.42 g/mol, XLogP of 2.67, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 166466836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).