2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

C15H23N5O — CID 17229244

IUPAC2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCN1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1
InChIInChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-17-13(21)12(11-16)15(18-14)5-3-2-4-6-15/h12H,2-10H2,1H3,(H,17,18,21)
InChIKeyRAKSFSUYGPSHLQ-UHFFFAOYSA-N
MW289.38 g/mol
LogP0.56
Rot. Bonds

About 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile

2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (PubChem CID 17229244) has the molecular formula C15H23N5O and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
PubChem CID17229244
Molecular FormulaC15H23N5O
Molecular Weight289.38 g/mol
Exact Mass289.19
IUPAC Name2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile
SMILESCN1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1
InChIInChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-17-13(21)12(11-16)15(18-14)5-3-2-4-6-15/h12H,2-10H2,1H3,(H,17,18,21)
InChIKeyRAKSFSUYGPSHLQ-UHFFFAOYSA-N
XLogP0.56
TPSA71.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile (CID 17229244) is 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is CN1CCN(C2=NC3(CCCCC3)C(C#N)C(=O)N2)CC1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
The InChIKey is RAKSFSUYGPSHLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O/c1-19-7-9-20(10-8-19)14-17-13(21)12(11-16)15(18-14)5-3-2-4-6-15/h12H,2-10H2,1H3,(H,17,18,21).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile?
2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile has a molecular weight of 289.38 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-oxo-1,3-diazaspiro[5.5]undec-1-ene-5-carbonitrile is sourced from PubChem (CID 17229244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).