2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one

C19H23FN2O3 — CID 131691131

IUPAC2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(CC1(O)CCC1)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H23FN2O3/c20-14-2-4-15(5-3-14)22-13-18(10-17(22)24)8-9-21(12-18)16(23)11-19(25)6-1-7-19/h2-5,25H,1,6-13H2
InChIKeyRCFFGGSOWMLGSM-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.09
Rot. Bonds3

About 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one

2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one (PubChem CID 131691131) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
PubChem CID131691131
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Name2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one
SMILESO=C(CC1(O)CCC1)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1
InChIInChI=1S/C19H23FN2O3/c20-14-2-4-15(5-3-14)22-13-18(10-17(22)24)8-9-21(12-18)16(23)11-19(25)6-1-7-19/h2-5,25H,1,6-13H2
InChIKeyRCFFGGSOWMLGSM-UHFFFAOYSA-N
XLogP2.09
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?
The IUPAC name of 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one (CID 131691131) is 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one is O=C(CC1(O)CCC1)N1CCC2(CC(=O)N(c3ccc(F)cc3)C2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?
The InChIKey is RCFFGGSOWMLGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c20-14-2-4-15(5-3-14)22-13-18(10-17(22)24)8-9-21(12-18)16(23)11-19(25)6-1-7-19/h2-5,25H,1,6-13H2.
What are the key properties of 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one?
2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one has a molecular weight of 346.40 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-7-[2-(1-hydroxycyclobutyl)acetyl]-2,7-diazaspiro[4.4]nonan-3-one is sourced from PubChem (CID 131691131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).