N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide

C17H33FN2O2 — CID 154671289

IUPACN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)C1
InChIInChI=1S/C17H33FN2O2/c1-13(2)17(21)19-16-8-10-20(12-15(16)18)9-6-5-7-11-22-14(3)4/h13-16H,5-12H2,1-4H3,(H,19,21)
InChIKeyDCSQCWZJBHVFIP-UHFFFAOYSA-N
MW316.46 g/mol
LogP2.77
Rot. Bonds9

About N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide

N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 154671289) has the molecular formula C17H33FN2O2 and a molecular weight of 316.46 g/mol. Its IUPAC name is N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID154671289
Molecular FormulaC17H33FN2O2
Molecular Weight316.46 g/mol
Exact Mass316.25
IUPAC NameN-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)C1
InChIInChI=1S/C17H33FN2O2/c1-13(2)17(21)19-16-8-10-20(12-15(16)18)9-6-5-7-11-22-14(3)4/h13-16H,5-12H2,1-4H3,(H,19,21)
InChIKeyDCSQCWZJBHVFIP-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.46
LogP ≤ 52.77
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

N-[3-(cyclohexyloxy)propyl]-1-isobutyrylpiperidin-4-amine
CID 122558785
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-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 154671027
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-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]propanamide
CID 156053515
N-[1-(2,2-difluoro-5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
CID 164715621
N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
CID 166466792
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylpropanamide
CID 166466836
N-[1-(5-ethoxypentyl)-3,3-difluoropiperidin-4-yl]-2-methylbutanamide;molecular hydrogen
CID 166466859

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (CID 154671289) is N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is CC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)C1.
What is the InChIKey of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is DCSQCWZJBHVFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33FN2O2/c1-13(2)17(21)19-16-8-10-20(12-15(16)18)9-6-5-7-11-22-14(3)4/h13-16H,5-12H2,1-4H3,(H,19,21).
What are the key properties of N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 316.46 g/mol, XLogP of 2.77, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154671289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).