5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione

C10H18N4O2 — CID 6501454

IUPAC5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
InChIKeyLJNMTXMGPGCHPD-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.82
Rot. Bonds2

About 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione

5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione (PubChem CID 6501454) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
PubChem CID6501454
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCC1(C)NC(=O)N(CN2CCNCC2)C1=O
InChIInChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16)
InChIKeyLJNMTXMGPGCHPD-UHFFFAOYSA-N
XLogP-0.82
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione (CID 6501454) is 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione is CC1(C)NC(=O)N(CN2CCNCC2)C1=O.
What is the InChIKey of 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is LJNMTXMGPGCHPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-10(2)8(15)14(9(16)12-10)7-13-5-3-11-4-6-13/h11H,3-7H2,1-2H3,(H,12,16).
What are the key properties of 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione?
5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of -0.82, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-(piperazin-1-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 6501454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).