N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen

C18H36F2N2O2 — CID 154671027

IUPACN-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C18H34F2N2O2.H2/c1-5-15(4)24-12-6-9-18(19,20)13-22-10-7-16(8-11-22)21-17(23)14(2)3;/h14-16H,5-13H2,1-4H3,(H,21,23);1H
InChIKeyBWIHXFUOSWJQSA-UHFFFAOYSA-N
MW350.49 g/mol
LogP3.70
Rot. Bonds10

About N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen

N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 154671027) has the molecular formula C18H36F2N2O2 and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID154671027
Molecular FormulaC18H36F2N2O2
Molecular Weight350.49 g/mol
Exact Mass350.27
IUPAC NameN-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C18H34F2N2O2.H2/c1-5-15(4)24-12-6-9-18(19,20)13-22-10-7-16(8-11-22)21-17(23)14(2)3;/h14-16H,5-13H2,1-4H3,(H,21,23);1H
InChIKeyBWIHXFUOSWJQSA-UHFFFAOYSA-N
XLogP3.70
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
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-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (CID 154671027) is N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is CCC(C)OCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H].
What is the InChIKey of N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is BWIHXFUOSWJQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F2N2O2.H2/c1-5-15(4)24-12-6-9-18(19,20)13-22-10-7-16(8-11-22)21-17(23)14(2)3;/h14-16H,5-13H2,1-4H3,(H,21,23);1H.
What are the key properties of N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 350.49 g/mol, XLogP of 3.70, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-butan-2-yloxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 154671027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).