5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

C16H29N3O — CID 83270788

IUPAC5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CC(C)N1CCCC1
InChIInChI=1S/C16H29N3O/c1-12(2)10-14-17-16(6-7-16)15(20)19(14)11-13(3)18-8-4-5-9-18/h12-14,17H,4-11H2,1-3H3
InChIKeyYJUMIUUEHVAFMD-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.81
Rot. Bonds5

About 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one

5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83270788) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83270788
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)CC1NC2(CC2)C(=O)N1CC(C)N1CCCC1
InChIInChI=1S/C16H29N3O/c1-12(2)10-14-17-16(6-7-16)15(20)19(14)11-13(3)18-8-4-5-9-18/h12-14,17H,4-11H2,1-3H3
InChIKeyYJUMIUUEHVAFMD-UHFFFAOYSA-N
XLogP1.81
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-3-(2-piperidin-1-ylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83253291
5-(2-methylpropyl)-6-(1-piperidin-1-ylpropan-2-yl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83253710
6-[(1-methylcyclopentyl)methyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83257010
6-(2-ethylhexyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819310
5-(2-methylpropyl)-6-octyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83260540
6-(7-methyloctyl)-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 107819249
6-[2-(1-methylpiperidin-4-yl)ethyl]-5-(2-methylpropyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 114517119
3-(2-methoxy-2-methylpropyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 104767782
5-(2-methylpropyl)-6-(oxan-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83256741
6-(2-methylpropyl)-5-propyl-4,6-diazaspiro[2.4]heptan-7-one
CID 83242401
5-(2-methylpropyl)-6-(thian-2-ylmethyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83270679
3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)-1,3-diazaspiro[4.4]nonan-4-one
CID 83246794

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one (CID 83270788) is 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is CC(C)CC1NC2(CC2)C(=O)N1CC(C)N1CCCC1.
What is the InChIKey of 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is YJUMIUUEHVAFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-12(2)10-14-17-16(6-7-16)15(20)19(14)11-13(3)18-8-4-5-9-18/h12-14,17H,4-11H2,1-3H3.
What are the key properties of 5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one?
5-(2-methylpropyl)-6-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 279.43 g/mol, XLogP of 1.81, 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-(2-pyrrolidin-1-ylpropyl)-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83270788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).