7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

C14H21N5O — CID 666202

IUPAC7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESCN1CCN(C2=NC3(CCCC3)C(C#N)C(=O)N2)CC1
InChIInChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)13-16-12(20)11(10-15)14(17-13)4-2-3-5-14/h11H,2-9H2,1H3,(H,16,17,20)
InChIKeyHXYSUJMRGBQCGG-UHFFFAOYSA-N
MW275.36 g/mol
LogP0.17
Rot. Bonds

About 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile

7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (PubChem CID 666202) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.

Molecular Properties

Compound Name7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
PubChem CID666202
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile
SMILESCN1CCN(C2=NC3(CCCC3)C(C#N)C(=O)N2)CC1
InChIInChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)13-16-12(20)11(10-15)14(17-13)4-2-3-5-14/h11H,2-9H2,1H3,(H,16,17,20)
InChIKeyHXYSUJMRGBQCGG-UHFFFAOYSA-N
XLogP0.17
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The IUPAC name of 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile (CID 666202) is 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile.
What is the SMILES notation for 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The canonical SMILES for 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is CN1CCN(C2=NC3(CCCC3)C(C#N)C(=O)N2)CC1.
What is the InChIKey of 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
The InChIKey is HXYSUJMRGBQCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-18-6-8-19(9-7-18)13-16-12(20)11(10-15)14(17-13)4-2-3-5-14/h11H,2-9H2,1H3,(H,16,17,20).
What are the key properties of 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile?
7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile has a molecular weight of 275.36 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methylpiperazin-1-yl)-9-oxo-6,8-diazaspiro[4.5]dec-6-ene-10-carbonitrile is sourced from PubChem (CID 666202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).