5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C16H21FN2O2 — CID 83268053

IUPAC5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCC(C)N1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-11(7-10-21-2)19-14(12-3-5-13(17)6-4-12)18-16(8-9-16)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyDHQQLPHPHPTGPW-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.21
Rot. Bonds5

About 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83268053) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83268053
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCOCCC(C)N1C(=O)C2(CC2)NC1c1ccc(F)cc1
InChIInChI=1S/C16H21FN2O2/c1-11(7-10-21-2)19-14(12-3-5-13(17)6-4-12)18-16(8-9-16)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3
InChIKeyDHQQLPHPHPTGPW-UHFFFAOYSA-N
XLogP2.21
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83268053) is 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is COCCC(C)N1C(=O)C2(CC2)NC1c1ccc(F)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is DHQQLPHPHPTGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(7-10-21-2)19-14(12-3-5-13(17)6-4-12)18-16(8-9-16)15(19)20/h3-6,11,14,18H,7-10H2,1-2H3.
What are the key properties of 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 292.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-6-(4-methoxybutan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83268053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).