1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione

C10H14N4O2 — CID 114531283

IUPAC1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
SMILESCn1ccnc1CCN1C(=O)CNCC1=O
InChIInChI=1S/C10H14N4O2/c1-13-5-3-12-8(13)2-4-14-9(15)6-11-7-10(14)16/h3,5,11H,2,4,6-7H2,1H3
InChIKeyYUTVNACAIAQJKY-UHFFFAOYSA-N
MW222.25 g/mol
LogP-1.08
Rot. Bonds3

About 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione

1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione (PubChem CID 114531283) has the molecular formula C10H14N4O2 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione.

Molecular Properties

Compound Name1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
PubChem CID114531283
Molecular FormulaC10H14N4O2
Molecular Weight222.25 g/mol
Exact Mass222.11
IUPAC Name1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione
SMILESCn1ccnc1CCN1C(=O)CNCC1=O
InChIInChI=1S/C10H14N4O2/c1-13-5-3-12-8(13)2-4-14-9(15)6-11-7-10(14)16/h3,5,11H,2,4,6-7H2,1H3
InChIKeyYUTVNACAIAQJKY-UHFFFAOYSA-N
XLogP-1.08
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 5-1.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(1-methylimidazol-2-yl)ethyl]-3,4-dihydroquinoxalin-2-one
CID 114531269
1-[2-(1-methylimidazol-2-yl)ethyl]imidazolidine-2,4-dione
CID 114531954
1-[(1-methylimidazol-2-yl)methyl]-1,3-diazinane-2,4,6-trione
CID 112598004
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
6,6-diethyl-1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,5-dione
CID 114532499
6-[2-(1-methylimidazol-2-yl)ethyl]-6,9-diazaspiro[4.5]decane-7,10-dione
CID 114532500
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
azane;1-methyl-2-propylimidazole
CID 174525892
5-iodo-2-[2-(1-methylimidazol-2-yl)ethyl]isoindole-1,3-dione
CID 114532901
methanamine;1-methyl-2-propylimidazole
CID 164902083
7-[(1-methylimidazol-2-yl)methyl]-5,7-diazaspiro[2.5]octane-4,6,8-trione
CID 112600629

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione?
The IUPAC name of 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione (CID 114531283) is 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione.
What is the SMILES notation for 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione?
The canonical SMILES for 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione is Cn1ccnc1CCN1C(=O)CNCC1=O.
What is the InChIKey of 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione?
The InChIKey is YUTVNACAIAQJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O2/c1-13-5-3-12-8(13)2-4-14-9(15)6-11-7-10(14)16/h3,5,11H,2,4,6-7H2,1H3.
What are the key properties of 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione?
1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione has a molecular weight of 222.25 g/mol, XLogP of -1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylimidazol-2-yl)ethyl]piperazine-2,6-dione is sourced from PubChem (CID 114531283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).