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

C17H31N3O — CID 114517119

IUPAC6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CCC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-13(2)12-15-18-17(7-8-17)16(21)20(15)11-6-14-4-9-19(3)10-5-14/h13-15,18H,4-12H2,1-3H3
InChIKeyJXNDUCNXAUNNBV-UHFFFAOYSA-N
MW293.45 g/mol
LogP2.05
Rot. Bonds5

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

6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 114517119) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID114517119
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CCC1CCN(C)CC1
InChIInChI=1S/C17H31N3O/c1-13(2)12-15-18-17(7-8-17)16(21)20(15)11-6-14-4-9-19(3)10-5-14/h13-15,18H,4-12H2,1-3H3
InChIKeyJXNDUCNXAUNNBV-UHFFFAOYSA-N
XLogP2.05
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122
2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]-1,3-diazaspiro[4.4]nonan-4-one
CID 83253151
6-[3-[methyl(propan-2-yl)amino]propyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 106053090
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270788
2-(2-methylpropyl)-3-(1-methylpyrrolidin-3-yl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83250222
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
3-[(1-methylpiperidin-4-yl)methyl]-2-propyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83253627
2-(2-methylpropyl)-3-(thiolan-3-ylmethyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 107298986
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 114517119) is 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1CCC1CCN(C)CC1.
What is the InChIKey of 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is JXNDUCNXAUNNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-13(2)12-15-18-17(7-8-17)16(21)20(15)11-6-14-4-9-19(3)10-5-14/h13-15,18H,4-12H2,1-3H3.
What are the key properties of 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 293.45 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 114517119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).