5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one

C15H25N3O2 — CID 138055260

IUPAC5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one
SMILESCN(CC(=O)N1CCNC(=O)CC12CCC2)C1CCC1
InChIInChI=1S/C15H25N3O2/c1-17(12-4-2-5-12)11-14(20)18-9-8-16-13(19)10-15(18)6-3-7-15/h12H,2-11H2,1H3,(H,16,19)
InChIKeyZTDQPJYPXHIZDG-UHFFFAOYSA-N
MW279.38 g/mol
LogP0.74
Rot. Bonds3

About 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one

5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one (PubChem CID 138055260) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one.

Molecular Properties

Compound Name5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one
PubChem CID138055260
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one
SMILESCN(CC(=O)N1CCNC(=O)CC12CCC2)C1CCC1
InChIInChI=1S/C15H25N3O2/c1-17(12-4-2-5-12)11-14(20)18-9-8-16-13(19)10-15(18)6-3-7-15/h12H,2-11H2,1H3,(H,16,19)
InChIKeyZTDQPJYPXHIZDG-UHFFFAOYSA-N
XLogP0.74
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one?
The IUPAC name of 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one (CID 138055260) is 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one.
What is the SMILES notation for 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one?
The canonical SMILES for 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one is CN(CC(=O)N1CCNC(=O)CC12CCC2)C1CCC1.
What is the InChIKey of 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one?
The InChIKey is ZTDQPJYPXHIZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-17(12-4-2-5-12)11-14(20)18-9-8-16-13(19)10-15(18)6-3-7-15/h12H,2-11H2,1H3,(H,16,19).
What are the key properties of 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one?
5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one has a molecular weight of 279.38 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[cyclobutyl(methyl)amino]acetyl]-5,8-diazaspiro[3.6]decan-9-one is sourced from PubChem (CID 138055260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).