N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide

C14H25F2N3O — CID 154670379

IUPACN-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide
SMILESCCN1CCC(N2CCC(NC(C)=O)CC2)C(F)(F)C1
InChIInChI=1S/C14H25F2N3O/c1-3-18-7-6-13(14(15,16)10-18)19-8-4-12(5-9-19)17-11(2)20/h12-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyCZZIBTZKOUWWEC-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.32
Rot. Bonds3

About N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide

N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide (PubChem CID 154670379) has the molecular formula C14H25F2N3O and a molecular weight of 289.37 g/mol. Its IUPAC name is N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide
PubChem CID154670379
Molecular FormulaC14H25F2N3O
Molecular Weight289.37 g/mol
Exact Mass289.20
IUPAC NameN-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide
SMILESCCN1CCC(N2CCC(NC(C)=O)CC2)C(F)(F)C1
InChIInChI=1S/C14H25F2N3O/c1-3-18-7-6-13(14(15,16)10-18)19-8-4-12(5-9-19)17-11(2)20/h12-13H,3-10H2,1-2H3,(H,17,20)
InChIKeyCZZIBTZKOUWWEC-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide?
The IUPAC name of N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide (CID 154670379) is N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide.
What is the SMILES notation for N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide?
The canonical SMILES for N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide is CCN1CCC(N2CCC(NC(C)=O)CC2)C(F)(F)C1.
What is the InChIKey of N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide?
The InChIKey is CZZIBTZKOUWWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2N3O/c1-3-18-7-6-13(14(15,16)10-18)19-8-4-12(5-9-19)17-11(2)20/h12-13H,3-10H2,1-2H3,(H,17,20).
What are the key properties of N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide?
N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide has a molecular weight of 289.37 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-3,3-difluoropiperidin-4-yl)piperidin-4-yl]acetamide is sourced from PubChem (CID 154670379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).