N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane

C19H34F2N2O4 — CID 170758719

IUPACN-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCOCC1
InChIInChI=1S/C17H28F2N2O4.C2H6/c1-12(25-11-14-3-9-24-10-4-14)15(20-13(2)22)16(23)21-7-5-17(18,19)6-8-21;1-2/h12,14-15H,3-11H2,1-2H3,(H,20,22);1-2H3
InChIKeyLTMGMSCDLMRZDU-UHFFFAOYSA-N
MW392.49 g/mol
LogP2.61
Rot. Bonds6

About N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane

N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane (PubChem CID 170758719) has the molecular formula C19H34F2N2O4 and a molecular weight of 392.49 g/mol. Its IUPAC name is N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane.

Molecular Properties

Compound NameN-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
PubChem CID170758719
Molecular FormulaC19H34F2N2O4
Molecular Weight392.49 g/mol
Exact Mass392.25
IUPAC NameN-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane
SMILESCC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCOCC1
InChIInChI=1S/C17H28F2N2O4.C2H6/c1-12(25-11-14-3-9-24-10-4-14)15(20-13(2)22)16(23)21-7-5-17(18,19)6-8-21;1-2/h12,14-15H,3-11H2,1-2H3,(H,20,22);1-2H3
InChIKeyLTMGMSCDLMRZDU-UHFFFAOYSA-N
XLogP2.61
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane?
The IUPAC name of N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane (CID 170758719) is N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane.
What is the SMILES notation for N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane?
The canonical SMILES for N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane is CC.CC(=O)NC(C(=O)N1CCC(F)(F)CC1)C(C)OCC1CCOCC1.
What is the InChIKey of N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane?
The InChIKey is LTMGMSCDLMRZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28F2N2O4.C2H6/c1-12(25-11-14-3-9-24-10-4-14)15(20-13(2)22)16(23)21-7-5-17(18,19)6-8-21;1-2/h12,14-15H,3-11H2,1-2H3,(H,20,22);1-2H3.
What are the key properties of N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane?
N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane has a molecular weight of 392.49 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4,4-difluoropiperidin-1-yl)-3-(oxan-4-ylmethoxy)-1-oxobutan-2-yl]acetamide;ethane is sourced from PubChem (CID 170758719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).