3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

C16H32N4O — CID 83263947

IUPAC3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(CC2CN(C)CCN2C)C1=O
InChIInChI=1S/C16H32N4O/c1-6-14-16(21)20(15(17-14)9-12(2)3)11-13-10-18(4)7-8-19(13)5/h12-15,17H,6-11H2,1-5H3
InChIKeyPDYYDAFESHRPGB-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.81
Rot. Bonds5

About 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one

3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (PubChem CID 83263947) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
PubChem CID83263947
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one
SMILESCCC1NC(CC(C)C)N(CC2CN(C)CCN2C)C1=O
InChIInChI=1S/C16H32N4O/c1-6-14-16(21)20(15(17-14)9-12(2)3)11-13-10-18(4)7-8-19(13)5/h12-15,17H,6-11H2,1-5H3
InChIKeyPDYYDAFESHRPGB-UHFFFAOYSA-N
XLogP0.81
TPSA38.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The IUPAC name of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one (CID 83263947) is 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The canonical SMILES for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is CCC1NC(CC(C)C)N(CC2CN(C)CCN2C)C1=O.
What is the InChIKey of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
The InChIKey is PDYYDAFESHRPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-6-14-16(21)20(15(17-14)9-12(2)3)11-13-10-18(4)7-8-19(13)5/h12-15,17H,6-11H2,1-5H3.
What are the key properties of 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one?
3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one has a molecular weight of 296.46 g/mol, XLogP of 0.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1,4-dimethylpiperazin-2-yl)methyl]-5-ethyl-2-(2-methylpropyl)imidazolidin-4-one is sourced from PubChem (CID 83263947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).