6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

C18H24N2O — CID 83263091

IUPAC6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C1CCCC1)N1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C18H24N2O/c1-13(14-7-5-6-8-14)20-16(15-9-3-2-4-10-15)19-18(11-12-18)17(20)21/h2-4,9-10,13-14,16,19H,5-8,11-12H2,1H3
InChIKeyQGCYLJVRTSXIDF-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.23
Rot. Bonds3

About 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one

6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83263091) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83263091
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C1CCCC1)N1C(=O)C2(CC2)NC1c1ccccc1
InChIInChI=1S/C18H24N2O/c1-13(14-7-5-6-8-14)20-16(15-9-3-2-4-10-15)19-18(11-12-18)17(20)21/h2-4,9-10,13-14,16,19H,5-8,11-12H2,1H3
InChIKeyQGCYLJVRTSXIDF-UHFFFAOYSA-N
XLogP3.23
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one (CID 83263091) is 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is CC(C1CCCC1)N1C(=O)C2(CC2)NC1c1ccccc1.
What is the InChIKey of 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is QGCYLJVRTSXIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-13(14-7-5-6-8-14)20-16(15-9-3-2-4-10-15)19-18(11-12-18)17(20)21/h2-4,9-10,13-14,16,19H,5-8,11-12H2,1H3.
What are the key properties of 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one?
6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 284.40 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclopentylethyl)-5-phenyl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83263091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).