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

C15H23F2N3O3 — CID 163352753

IUPAC3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2N3O3/c16-15(17)3-6-19(7-4-15)14(22)12-10-20(8-9-23-12)11-2-1-5-18-13(11)21/h11-12H,1-10H2,(H,18,21)
InChIKeyHYWAYUMRICNQBF-UHFFFAOYSA-N
MW331.36 g/mol
LogP0.22
Rot. Bonds2

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

3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one (PubChem CID 163352753) has the molecular formula C15H23F2N3O3 and a molecular weight of 331.36 g/mol. Its IUPAC name is 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one.

Molecular Properties

Compound Name3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one
PubChem CID163352753
Molecular FormulaC15H23F2N3O3
Molecular Weight331.36 g/mol
Exact Mass331.17
IUPAC Name3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one
SMILESO=C1NCCCC1N1CCOC(C(=O)N2CCC(F)(F)CC2)C1
InChIInChI=1S/C15H23F2N3O3/c16-15(17)3-6-19(7-4-15)14(22)12-10-20(8-9-23-12)11-2-1-5-18-13(11)21/h11-12H,1-10H2,(H,18,21)
InChIKeyHYWAYUMRICNQBF-UHFFFAOYSA-N
XLogP0.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.36
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one?
The IUPAC name of 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one (CID 163352753) is 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one.
What is the SMILES notation for 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one?
The canonical SMILES for 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one is O=C1NCCCC1N1CCOC(C(=O)N2CCC(F)(F)CC2)C1.
What is the InChIKey of 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one?
The InChIKey is HYWAYUMRICNQBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3O3/c16-15(17)3-6-19(7-4-15)14(22)12-10-20(8-9-23-12)11-2-1-5-18-13(11)21/h11-12H,1-10H2,(H,18,21).
What are the key properties of 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one?
3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one has a molecular weight of 331.36 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,4-difluoropiperidine-1-carbonyl)morpholin-4-yl]piperidin-2-one is sourced from PubChem (CID 163352753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).