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

C15H24F2N2O2 — CID 168882067

IUPAC1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(C(=O)C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C15H24F2N2O2/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17/h12H,4-10H2,1-3H3
InChIKeyVFNJXLOQICGVEQ-UHFFFAOYSA-N
MW302.37 g/mol
LogP1.79
Rot. Bonds2

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

1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone (PubChem CID 168882067) has the molecular formula C15H24F2N2O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone
PubChem CID168882067
Molecular FormulaC15H24F2N2O2
Molecular Weight302.37 g/mol
Exact Mass302.18
IUPAC Name1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone
SMILESCC(=O)C1(C)CCN(C(=O)C2CCN(C)CC2(F)F)CC1
InChIInChI=1S/C15H24F2N2O2/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17/h12H,4-10H2,1-3H3
InChIKeyVFNJXLOQICGVEQ-UHFFFAOYSA-N
XLogP1.79
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone?
The IUPAC name of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone (CID 168882067) is 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone.
What is the SMILES notation for 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone?
The canonical SMILES for 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone is 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?
The InChIKey is VFNJXLOQICGVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F2N2O2/c1-11(20)14(2)5-8-19(9-6-14)13(21)12-4-7-18(3)10-15(12,16)17/h12H,4-10H2,1-3H3.
What are the key properties of 1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone?
1-[1-(3,3-difluoro-1-methylpiperidine-4-carbonyl)-4-methylpiperidin-4-yl]ethanone has a molecular weight of 302.37 g/mol, XLogP of 1.79, 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 is sourced from PubChem (CID 168882067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).