3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

C16H23F3N2O3 — CID 91925493

IUPAC3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESO=C(CC(F)(F)F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C16H23F3N2O3/c17-16(18,19)10-12(22)20-8-4-11(5-9-20)21-14(24)13(23)15(21)6-2-1-3-7-15/h11,13,23H,1-10H2
InChIKeyCQACIKCBCNVQRE-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.84
Rot. Bonds2

About 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one

3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925493) has the molecular formula C16H23F3N2O3 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
PubChem CID91925493
Molecular FormulaC16H23F3N2O3
Molecular Weight348.37 g/mol
Exact Mass348.17
IUPAC Name3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one
SMILESO=C(CC(F)(F)F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C16H23F3N2O3/c17-16(18,19)10-12(22)20-8-4-11(5-9-20)21-14(24)13(23)15(21)6-2-1-3-7-15/h11,13,23H,1-10H2
InChIKeyCQACIKCBCNVQRE-UHFFFAOYSA-N
XLogP1.84
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one (CID 91925493) is 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is O=C(CC(F)(F)F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
The InChIKey is CQACIKCBCNVQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O3/c17-16(18,19)10-12(22)20-8-4-11(5-9-20)21-14(24)13(23)15(21)6-2-1-3-7-15/h11,13,23H,1-10H2.
What are the key properties of 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one?
3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one has a molecular weight of 348.37 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[1-(3,3,3-trifluoropropanoyl)piperidin-4-yl]-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).