3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile

C11H18N4O — CID 116982424

IUPAC3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile
SMILESCN1CCC(C2CN(C#N)C(=O)N2C)CC1
InChIInChI=1S/C11H18N4O/c1-13-5-3-9(4-6-13)10-7-15(8-12)11(16)14(10)2/h9-10H,3-7H2,1-2H3
InChIKeyJGHSHORIVSYFPT-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.55
Rot. Bonds1

About 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile

3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile (PubChem CID 116982424) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile.

Molecular Properties

Compound Name3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile
PubChem CID116982424
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile
SMILESCN1CCC(C2CN(C#N)C(=O)N2C)CC1
InChIInChI=1S/C11H18N4O/c1-13-5-3-9(4-6-13)10-7-15(8-12)11(16)14(10)2/h9-10H,3-7H2,1-2H3
InChIKeyJGHSHORIVSYFPT-UHFFFAOYSA-N
XLogP0.55
TPSA50.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile?
The IUPAC name of 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile (CID 116982424) is 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile.
What is the SMILES notation for 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile?
The canonical SMILES for 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile is CN1CCC(C2CN(C#N)C(=O)N2C)CC1.
What is the InChIKey of 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile?
The InChIKey is JGHSHORIVSYFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-13-5-3-9(4-6-13)10-7-15(8-12)11(16)14(10)2/h9-10H,3-7H2,1-2H3.
What are the key properties of 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile?
3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile has a molecular weight of 222.29 g/mol, XLogP of 0.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(1-methylpiperidin-4-yl)-2-oxoimidazolidine-1-carbonitrile is sourced from PubChem (CID 116982424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).