3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one

C17H30F2N2O3 — CID 178099469

IUPAC3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOC(F)(F)C1=O.CCC(C)C1CCCN(C)C1=O
InChIInChI=1S/C10H19NO.C7H11F2NO2/c1-4-8(2)9-6-5-7-11(3)10(9)12;1-5(2)10-3-4-12-7(8,9)6(10)11/h8-9H,4-7H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyRPGCBJWKVXCKLP-UHFFFAOYSA-N
MW348.43 g/mol
LogP2.75
Rot. Bonds3

About 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one

3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one (PubChem CID 178099469) has the molecular formula C17H30F2N2O3 and a molecular weight of 348.43 g/mol. Its IUPAC name is 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one.

Molecular Properties

Compound Name3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one
PubChem CID178099469
Molecular FormulaC17H30F2N2O3
Molecular Weight348.43 g/mol
Exact Mass348.22
IUPAC Name3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one
SMILESCC(C)N1CCOC(F)(F)C1=O.CCC(C)C1CCCN(C)C1=O
InChIInChI=1S/C10H19NO.C7H11F2NO2/c1-4-8(2)9-6-5-7-11(3)10(9)12;1-5(2)10-3-4-12-7(8,9)6(10)11/h8-9H,4-7H2,1-3H3;5H,3-4H2,1-2H3
InChIKeyRPGCBJWKVXCKLP-UHFFFAOYSA-N
XLogP2.75
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one?
The IUPAC name of 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one (CID 178099469) is 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one.
What is the SMILES notation for 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one?
The canonical SMILES for 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one is CC(C)N1CCOC(F)(F)C1=O.CCC(C)C1CCCN(C)C1=O.
What is the InChIKey of 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one?
The InChIKey is RPGCBJWKVXCKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.C7H11F2NO2/c1-4-8(2)9-6-5-7-11(3)10(9)12;1-5(2)10-3-4-12-7(8,9)6(10)11/h8-9H,4-7H2,1-3H3;5H,3-4H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one?
3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one has a molecular weight of 348.43 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-methylpiperidin-2-one;2,2-difluoro-4-propan-2-ylmorpholin-3-one is sourced from PubChem (CID 178099469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).