1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one

C9H16N4O2 — CID 70993841

IUPAC1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one
SMILESCN1CC(C(=O)N2CCNCC2)NC1=O
InChIInChI=1S/C9H16N4O2/c1-12-6-7(11-9(12)15)8(14)13-4-2-10-3-5-13/h7,10H,2-6H2,1H3,(H,11,15)
InChIKeyJBQDEVWADWPYFN-UHFFFAOYSA-N
MW212.25 g/mol
LogP-1.56
Rot. Bonds1

About 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one

1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one (PubChem CID 70993841) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one
PubChem CID70993841
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one
SMILESCN1CC(C(=O)N2CCNCC2)NC1=O
InChIInChI=1S/C9H16N4O2/c1-12-6-7(11-9(12)15)8(14)13-4-2-10-3-5-13/h7,10H,2-6H2,1H3,(H,11,15)
InChIKeyJBQDEVWADWPYFN-UHFFFAOYSA-N
XLogP-1.56
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-1.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one?
The IUPAC name of 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one (CID 70993841) is 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one.
What is the SMILES notation for 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one?
The canonical SMILES for 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one is CN1CC(C(=O)N2CCNCC2)NC1=O.
What is the InChIKey of 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one?
The InChIKey is JBQDEVWADWPYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-12-6-7(11-9(12)15)8(14)13-4-2-10-3-5-13/h7,10H,2-6H2,1H3,(H,11,15).
What are the key properties of 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one?
1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one has a molecular weight of 212.25 g/mol, XLogP of -1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(piperazine-1-carbonyl)imidazolidin-2-one is sourced from PubChem (CID 70993841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).