3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal

C10H16N4O3 — CID 121437254

IUPAC3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal
SMILESO=CCC(C1NC(=O)NC1=O)N1CCNCC1
InChIInChI=1S/C10H16N4O3/c15-6-1-7(14-4-2-11-3-5-14)8-9(16)13-10(17)12-8/h6-8,11H,1-5H2,(H2,12,13,16,17)
InChIKeyJIFBESPFZQHKFY-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.94
Rot. Bonds4

About 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal

3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal (PubChem CID 121437254) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal.

Molecular Properties

Compound Name3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal
PubChem CID121437254
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal
SMILESO=CCC(C1NC(=O)NC1=O)N1CCNCC1
InChIInChI=1S/C10H16N4O3/c15-6-1-7(14-4-2-11-3-5-14)8-9(16)13-10(17)12-8/h6-8,11H,1-5H2,(H2,12,13,16,17)
InChIKeyJIFBESPFZQHKFY-UHFFFAOYSA-N
XLogP-1.94
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,2-di(piperazin-1-yl)acetaldehyde
CID 87096321
N-(1-piperazin-1-ylethyl)formamide
CID 87225423
6-(piperazine-1-carbonyl)-1,3-diazinane-2,4-dione
CID 74313460
2-(2-cyclohexyl-2-piperazin-1-ylethyl)isoindole-1,3-dione
CID 58786552
2-[4-(1-carboxy-2-hydroxyethyl)-1,4,7,10-tetrazacyclododec-1-yl]-3-hydroxypropanoic acid
CID 57254174
1-(1-cyclohexyl-2-pyrrolidin-1-ylethyl)piperazine
CID 58786685
1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
CID 69431994
1-[1-(2-methylcyclopropyl)propyl]piperazine
CID 130624289
1-[(1S)-2-cyclopropyl-1-(2,3,4,5,6-pentafluorophenyl)ethyl]piperazine
CID 171166805
5-(2-chloro-4-piperazin-1-ylphenyl)imidazolidine-2,4-dione
CID 70596470
1-[(1R)-2-cyclopropyl-1-(2,4,6-trifluorophenyl)ethyl]piperazine
CID 171169981
2-piperazin-1-ylacetaldehyde;hydrochloride
CID 129057449

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal?
The IUPAC name of 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal (CID 121437254) is 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal.
What is the SMILES notation for 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal?
The canonical SMILES for 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal is O=CCC(C1NC(=O)NC1=O)N1CCNCC1.
What is the InChIKey of 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal?
The InChIKey is JIFBESPFZQHKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c15-6-1-7(14-4-2-11-3-5-14)8-9(16)13-10(17)12-8/h6-8,11H,1-5H2,(H2,12,13,16,17).
What are the key properties of 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal?
3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal has a molecular weight of 240.26 g/mol, XLogP of -1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxoimidazolidin-4-yl)-3-piperazin-1-ylpropanal is sourced from PubChem (CID 121437254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).