6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

C15H28N4O — CID 83265028

IUPAC6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CC1CN(C)CCN1C
InChIInChI=1S/C15H28N4O/c1-11(2)13-16-15(5-6-15)14(20)19(13)10-12-9-17(3)7-8-18(12)4/h11-13,16H,5-10H2,1-4H3
InChIKeyVUSYTRBYQOQHJQ-UHFFFAOYSA-N
MW280.42 g/mol
LogP0.18
Rot. Bonds3

About 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one

6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (PubChem CID 83265028) has the molecular formula C15H28N4O and a molecular weight of 280.42 g/mol. Its IUPAC name is 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.

Molecular Properties

Compound Name6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
PubChem CID83265028
Molecular FormulaC15H28N4O
Molecular Weight280.42 g/mol
Exact Mass280.23
IUPAC Name6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
SMILESCC(C)C1NC2(CC2)C(=O)N1CC1CN(C)CCN1C
InChIInChI=1S/C15H28N4O/c1-11(2)13-16-15(5-6-15)14(20)19(13)10-12-9-17(3)7-8-18(12)4/h11-13,16H,5-10H2,1-4H3
InChIKeyVUSYTRBYQOQHJQ-UHFFFAOYSA-N
XLogP0.18
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one with MolForge

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Related Compounds

3-[(1,4-dimethylpiperazin-2-yl)methyl]-2-ethyl-1,3-diazaspiro[4.4]nonan-4-one
CID 83263939
3-[(1-methylpiperidin-2-yl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83248460
6-(2-methylsulfonylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256700
6-(2-cyclohexylethyl)-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one
CID 83256857
methyl 3-(7-oxo-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-6-yl)propanoate
CID 83256480
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2,5-dimethylimidazolidin-4-one
CID 83264810
5-ethyl-6-[(1-methylpyrrolidin-2-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 114137896
3-(2,2-dimethylpropyl)-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83255752
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
CID 83263947
3-[(1-methylcyclopentyl)methyl]-2-propan-2-yl-1,3-diazaspiro[4.4]nonan-4-one
CID 83257924
1-[(1,4-dimethylpiperazin-2-yl)methyl]piperidin-4-one
CID 63898397
5-ethyl-6-[(1-methylpiperidin-4-yl)methyl]-4,6-diazaspiro[2.4]heptan-7-one
CID 83249122

Frequently Asked Questions

What is the IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The IUPAC name of 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one (CID 83265028) is 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one.
What is the SMILES notation for 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The canonical SMILES for 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is CC(C)C1NC2(CC2)C(=O)N1CC1CN(C)CCN1C.
What is the InChIKey of 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
The InChIKey is VUSYTRBYQOQHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O/c1-11(2)13-16-15(5-6-15)14(20)19(13)10-12-9-17(3)7-8-18(12)4/h11-13,16H,5-10H2,1-4H3.
What are the key properties of 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one?
6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one has a molecular weight of 280.42 g/mol, XLogP of 0.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1,4-dimethylpiperazin-2-yl)methyl]-5-propan-2-yl-4,6-diazaspiro[2.4]heptan-7-one is sourced from PubChem (CID 83265028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).