3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one

C16H25F2N3O2 — CID 163354658

IUPAC3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H25F2N3O2/c17-16(18)5-9-20(10-6-16)15(23)12-3-2-8-21(11-12)13-4-1-7-19-14(13)22/h12-13H,1-11H2,(H,19,22)
InChIKeyDAKDDGNPHKMXTJ-UHFFFAOYSA-N
MW329.39 g/mol
LogP1.23
Rot. Bonds2

About 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one

3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one (PubChem CID 163354658) has the molecular formula C16H25F2N3O2 and a molecular weight of 329.39 g/mol. Its IUPAC name is 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one
PubChem CID163354658
Molecular FormulaC16H25F2N3O2
Molecular Weight329.39 g/mol
Exact Mass329.19
IUPAC Name3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C16H25F2N3O2/c17-16(18)5-9-20(10-6-16)15(23)12-3-2-8-21(11-12)13-4-1-7-19-14(13)22/h12-13H,1-11H2,(H,19,22)
InChIKeyDAKDDGNPHKMXTJ-UHFFFAOYSA-N
XLogP1.23
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.39
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one?
The IUPAC name of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one (CID 163354658) is 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one.
What is the SMILES notation for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one?
The canonical SMILES for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one is O=C1NCCCC1N1CCCC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one?
The InChIKey is DAKDDGNPHKMXTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F2N3O2/c17-16(18)5-9-20(10-6-16)15(23)12-3-2-8-21(11-12)13-4-1-7-19-14(13)22/h12-13H,1-11H2,(H,19,22).
What are the key properties of 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one?
3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one has a molecular weight of 329.39 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4,4-difluoropiperidine-1-carbonyl)piperidin-1-yl]piperidin-2-one is sourced from PubChem (CID 163354658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).