5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

C17H31N3O — CID 83253710

IUPAC5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C(C)CN1CCCCC1
InChIInChI=1S/C17H31N3O/c1-13(2)11-15-18-17(7-8-17)16(21)20(15)14(3)12-19-9-5-4-6-10-19/h13-15,18H,4-12H2,1-3H3
InChIKeyLLYNUTCMKAGNIJ-UHFFFAOYSA-N
MW293.46 g/mol
LogP2.20
Rot. Bonds5

About 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one

5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83253710) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83253710
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1C(C)CN1CCCCC1
InChIInChI=1S/C17H31N3O/c1-13(2)11-15-18-17(7-8-17)16(21)20(15)14(3)12-19-9-5-4-6-10-19/h13-15,18H,4-12H2,1-3H3
InChIKeyLLYNUTCMKAGNIJ-UHFFFAOYSA-N
XLogP2.20
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263925
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270788
6-hexan-2-yl-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83252507
3-(1-cyclopropylpropan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83257143
6-(4-methoxybutan-2-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83259165
3-(4-methylhexan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83263262
6-(2-methylpentan-3-yl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83247398
3-(3,3-dimethylbutan-2-yl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104830781
6-(2-methylcycloheptyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83258767
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
3-cyclopropyl-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83242472
3-butan-2-yl-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83239839

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83253710) is 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1C(C)CN1CCCCC1.
What is the InChIKey of 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is LLYNUTCMKAGNIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)11-15-18-17(7-8-17)16(21)20(15)14(3)12-19-9-5-4-6-10-19/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 293.46 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83253710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).