3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

C10H16N4O3 — CID 60634910

IUPAC3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H16N4O3/c1-12-2-4-13(5-3-12)9(16)7-14-8(15)6-11-10(14)17/h2-7H2,1H3,(H,11,17)
InChIKeyNNDACNBSMNUTEE-UHFFFAOYSA-N
MW240.26 g/mol
LogP-1.69
Rot. Bonds2

About 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 60634910) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID60634910
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCN1CCN(C(=O)CN2C(=O)CNC2=O)CC1
InChIInChI=1S/C10H16N4O3/c1-12-2-4-13(5-3-12)9(16)7-14-8(15)6-11-10(14)17/h2-7H2,1H3,(H,11,17)
InChIKeyNNDACNBSMNUTEE-UHFFFAOYSA-N
XLogP-1.69
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-1.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 60624274
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
CID 66068271
1-methyl-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 60644567
3-[2-[(3S)-4-methyl-3-phenylpiperazin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 124988091
3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 79029328
3-[2-(3-hydroxypiperidin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 43415749
3-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 110686739
3-[2-oxo-2-(3-oxo-4-phenylpiperazin-1-yl)ethyl]imidazolidine-2,4-dione
CID 70776360
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1,2-bis(4-methylpiperazin-1-yl)ethanone
CID 160964399
3-[2-oxo-2-(4-pyrazin-2-ylpiperidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 110103050
1-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]pyrrolidine-2,5-dione
CID 60667552

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 60634910) is 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is CN1CCN(C(=O)CN2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is NNDACNBSMNUTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-2-4-13(5-3-12)9(16)7-14-8(15)6-11-10(14)17/h2-7H2,1H3,(H,11,17).
What are the key properties of 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 240.26 g/mol, XLogP of -1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 60634910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).