N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen

C18H36F2N2O2 — CID 166466792

IUPACN-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CCN(CC(F)(F)CCCOC(C)(C)C)CC1.[H][H]
InChIInChI=1S/C18H34F2N2O2.H2/c1-14(2)16(23)21-15-7-10-22(11-8-15)13-18(19,20)9-6-12-24-17(3,4)5;/h14-15H,6-13H2,1-5H3,(H,21,23);1H
InChIKeyGDQAKDJLOTXCEW-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.70
Rot. Bonds8

About N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen

N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 166466792) has the molecular formula C18H36F2N2O2 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID166466792
Molecular FormulaC18H36F2N2O2
Molecular Weight350.49 g/mol
Exact Mass350.27
IUPAC NameN-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCC(C)C(=O)NC1CCN(CC(F)(F)CCCOC(C)(C)C)CC1.[H][H]
InChIInChI=1S/C18H34F2N2O2.H2/c1-14(2)16(23)21-15-7-10-22(11-8-15)13-18(19,20)9-6-12-24-17(3,4)5;/h14-15H,6-13H2,1-5H3,(H,21,23);1H
InChIKeyGDQAKDJLOTXCEW-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 53.70
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-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (CID 166466792) is N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is CC(C)C(=O)NC1CCN(CC(F)(F)CCCOC(C)(C)C)CC1.[H][H].
What is the InChIKey of N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is GDQAKDJLOTXCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2O2.H2/c1-14(2)16(23)21-15-7-10-22(11-8-15)13-18(19,20)9-6-12-24-17(3,4)5;/h14-15H,6-13H2,1-5H3,(H,21,23);1H.
What are the key properties of N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 350.49 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2,2-difluoro-5-[(2-methylpropan-2-yl)oxy]pentyl]piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 166466792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).