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

C16H32F2N2O2 — CID 166466896

IUPACN-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCOCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C16H30F2N2O2.H2/c1-4-22-11-5-8-16(17,18)12-20-9-6-14(7-10-20)19-15(21)13(2)3;/h13-14H,4-12H2,1-3H3,(H,19,21);1H
InChIKeyDJXYECOGHWRUSM-UHFFFAOYSA-N
MW322.44 g/mol
LogP2.92
Rot. Bonds9

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

N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (PubChem CID 166466896) has the molecular formula C16H32F2N2O2 and a molecular weight of 322.44 g/mol. Its IUPAC name is N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.

Molecular Properties

Compound NameN-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
PubChem CID166466896
Molecular FormulaC16H32F2N2O2
Molecular Weight322.44 g/mol
Exact Mass322.24
IUPAC NameN-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen
SMILESCCOCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H]
InChIInChI=1S/C16H30F2N2O2.H2/c1-4-22-11-5-8-16(17,18)12-20-9-6-14(7-10-20)19-15(21)13(2)3;/h13-14H,4-12H2,1-3H3,(H,19,21);1H
InChIKeyDJXYECOGHWRUSM-UHFFFAOYSA-N
XLogP2.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.44
LogP ≤ 52.92
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-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The IUPAC name of N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen (CID 166466896) is N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen.
What is the SMILES notation for N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The canonical SMILES for N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is CCOCCCC(F)(F)CN1CCC(NC(=O)C(C)C)CC1.[H][H].
What is the InChIKey of N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
The InChIKey is DJXYECOGHWRUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30F2N2O2.H2/c1-4-22-11-5-8-16(17,18)12-20-9-6-14(7-10-20)19-15(21)13(2)3;/h13-14H,4-12H2,1-3H3,(H,19,21);1H.
What are the key properties of N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen?
N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen has a molecular weight of 322.44 g/mol, XLogP of 2.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethoxy-2,2-difluoropentyl)piperidin-4-yl]-2-methylpropanamide;molecular hydrogen is sourced from PubChem (CID 166466896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).