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

C20H25FN2O3 — CID 91925480

IUPAC1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C(c1ccccc1F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C20H25FN2O3/c21-16-7-3-2-6-15(16)18(25)22-12-8-14(9-13-22)23-19(26)17(24)20(23)10-4-1-5-11-20/h2-3,6-7,14,17,24H,1,4-5,8-13H2
InChIKeyBMLXPKZGMFNAMU-UHFFFAOYSA-N
MW360.43 g/mol
LogP2.34
Rot. Bonds2

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

1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (PubChem CID 91925480) has the molecular formula C20H25FN2O3 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.

Molecular Properties

Compound Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
PubChem CID91925480
Molecular FormulaC20H25FN2O3
Molecular Weight360.43 g/mol
Exact Mass360.18
IUPAC Name1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one
SMILESO=C(c1ccccc1F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1
InChIInChI=1S/C20H25FN2O3/c21-16-7-3-2-6-15(16)18(25)22-12-8-14(9-13-22)23-19(26)17(24)20(23)10-4-1-5-11-20/h2-3,6-7,14,17,24H,1,4-5,8-13H2
InChIKeyBMLXPKZGMFNAMU-UHFFFAOYSA-N
XLogP2.34
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The IUPAC name of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one (CID 91925480) is 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one.
What is the SMILES notation for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The canonical SMILES for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is O=C(c1ccccc1F)N1CCC(N2C(=O)C(O)C23CCCCC3)CC1.
What is the InChIKey of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
The InChIKey is BMLXPKZGMFNAMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O3/c21-16-7-3-2-6-15(16)18(25)22-12-8-14(9-13-22)23-19(26)17(24)20(23)10-4-1-5-11-20/h2-3,6-7,14,17,24H,1,4-5,8-13H2.
What are the key properties of 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one?
1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one has a molecular weight of 360.43 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorobenzoyl)piperidin-4-yl]-3-hydroxy-1-azaspiro[3.5]nonan-2-one is sourced from PubChem (CID 91925480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).