3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione

C14H26N4O3 — CID 124780397

IUPAC3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCOCCN1CCN(CCN2C(=O)CNC2=O)C[C@H]1C
InChIInChI=1S/C14H26N4O3/c1-3-21-9-8-17-6-4-16(11-12(17)2)5-7-18-13(19)10-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyVYJAAWYJULSVTG-GFCCVEGCSA-N
MW298.39 g/mol
LogP-0.42
Rot. Bonds7

About 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione

3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione (PubChem CID 124780397) has the molecular formula C14H26N4O3 and a molecular weight of 298.39 g/mol. Its IUPAC name is 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
PubChem CID124780397
Molecular FormulaC14H26N4O3
Molecular Weight298.39 g/mol
Exact Mass298.20
IUPAC Name3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione
SMILESCCOCCN1CCN(CCN2C(=O)CNC2=O)C[C@H]1C
InChIInChI=1S/C14H26N4O3/c1-3-21-9-8-17-6-4-16(11-12(17)2)5-7-18-13(19)10-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1
InChIKeyVYJAAWYJULSVTG-GFCCVEGCSA-N
XLogP-0.42
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]propyl]pyrrolidin-2-one
CID 124736823
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-[(1R,2S)-2-methylcyclohexyl]oxyethyl]piperazine
CID 124826688
(2R)-4-(cyclopentylmethyl)-1-(2-ethoxyethyl)-2-methylpiperazine
CID 124778699
3-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N,N-dimethylpropane-1-sulfonamide
CID 95347534
(2R)-1-(2-ethoxyethyl)-4-[2-(4-methoxyphenyl)ethyl]-2-methylpiperazine
CID 124737287
2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-N-[(3R)-2-oxoazepan-3-yl]acetamide
CID 124840360
3-(2-butoxyethyl)imidazolidine-2,4-dione
CID 103935917
3-[2-(3-amino-4-methylpyrrolidin-1-yl)ethyl]imidazolidine-2,4-dione
CID 103576544
(2R)-1-(2-ethoxyethyl)-2-methyl-4-[2-(3-methylphenoxy)ethyl]piperazine
CID 124780364
(2S)-1-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 100842222
(1R)-2-[(3S)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]-1-(4-propan-2-ylphenyl)ethanol
CID 95978212
1-(4-benzylpiperazin-1-yl)-2-[4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethanone
CID 86895019

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione (CID 124780397) is 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione is CCOCCN1CCN(CCN2C(=O)CNC2=O)C[C@H]1C.
What is the InChIKey of 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
The InChIKey is VYJAAWYJULSVTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H26N4O3/c1-3-21-9-8-17-6-4-16(11-12(17)2)5-7-18-13(19)10-15-14(18)20/h12H,3-11H2,1-2H3,(H,15,20)/t12-/m1/s1.
What are the key properties of 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione?
3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione has a molecular weight of 298.39 g/mol, XLogP of -0.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(3R)-4-(2-ethoxyethyl)-3-methylpiperazin-1-yl]ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 124780397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).