1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane

C21H42F2N2O2 — CID 168882066

IUPAC1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
SMILESCC.CC.CC.CC(=O)C1(C)CCN(C(=O)C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C15H24F2N2O2.3C2H6/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17;3*1-2/h12H,4-10H2,1-3H3;3*1-2H3
InChIKeyWYVBGUCDYKTARV-UHFFFAOYSA-N
MW392.58 g/mol
LogP4.87
Rot. Bonds2

About 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane

1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane (PubChem CID 168882066) has the molecular formula C21H42F2N2O2 and a molecular weight of 392.58 g/mol. Its IUPAC name is 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane.

Molecular Properties

Compound Name1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
PubChem CID168882066
Molecular FormulaC21H42F2N2O2
Molecular Weight392.58 g/mol
Exact Mass392.32
IUPAC Name1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane
SMILESCC.CC.CC.CC(=O)C1(C)CCN(C(=O)C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C15H24F2N2O2.3C2H6/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17;3*1-2/h12H,4-10H2,1-3H3;3*1-2H3
InChIKeyWYVBGUCDYKTARV-UHFFFAOYSA-N
XLogP4.87
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.58
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;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 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane?
The IUPAC name of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane (CID 168882066) is 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane.
What is the SMILES notation for 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane?
The canonical SMILES for 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane is CC.CC.CC.CC(=O)C1(C)CCN(C(=O)C2CCN(C)CC2(F)F)CC1.
What is the InChIKey of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane?
The InChIKey is WYVBGUCDYKTARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2.3C2H6/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17;3*1-2/h12H,4-10H2,1-3H3;3*1-2H3.
What are the key properties of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane?
1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane has a molecular weight of 392.58 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone;ethane is sourced from PubChem (CID 168882066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).