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

C17H32F2N2O2 — CID 154671318

IUPACN-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-8-10-21(12-17(15,18)19)9-6-5-7-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22)
InChIKeyCGUFLVJEZVUEAU-UHFFFAOYSA-N
MW334.45 g/mol
LogP3.06
Rot. Bonds9

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

N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (PubChem CID 154671318) has the molecular formula C17H32F2N2O2 and a molecular weight of 334.45 g/mol. Its IUPAC name is N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
PubChem CID154671318
Molecular FormulaC17H32F2N2O2
Molecular Weight334.45 g/mol
Exact Mass334.24
IUPAC NameN-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide
SMILESCC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1
InChIInChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-8-10-21(12-17(15,18)19)9-6-5-7-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22)
InChIKeyCGUFLVJEZVUEAU-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.45
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-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-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-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The IUPAC name of N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide (CID 154671318) is N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide.
What is the SMILES notation for N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The canonical SMILES for N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is CC(C)OCCCCCN1CCC(NC(=O)C(C)C)C(F)(F)C1.
What is the InChIKey of N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
The InChIKey is CGUFLVJEZVUEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32F2N2O2/c1-13(2)16(22)20-15-8-10-21(12-17(15,18)19)9-6-5-7-11-23-14(3)4/h13-15H,5-12H2,1-4H3,(H,20,22).
What are the key properties of N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide?
N-[3,3-difluoro-1-(5-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide has a molecular weight of 334.45 g/mol, XLogP of 3.06, 9 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-propan-2-yloxypentyl)piperidin-4-yl]-2-methylpropanamide is sourced from PubChem (CID 154671318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).