3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione

C19H28N4O4 — CID 95389250

IUPAC3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2CCN(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)c1
InChIInChI=1S/C19H28N4O4/c1-19(2)17(25)23(18(26)20-19)13-15(24)12-21-7-9-22(10-8-21)14-5-4-6-16(11-14)27-3/h4-6,11,15,24H,7-10,12-13H2,1-3H3,(H,20,26)/t15-/m0/s1
InChIKeyZFGPUGOQZJEOII-HNNXBMFYSA-N
MW376.46 g/mol
LogP0.51
Rot. Bonds6

About 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione

3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione (PubChem CID 95389250) has the molecular formula C19H28N4O4 and a molecular weight of 376.46 g/mol. Its IUPAC name is 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
PubChem CID95389250
Molecular FormulaC19H28N4O4
Molecular Weight376.46 g/mol
Exact Mass376.21
IUPAC Name3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione
SMILESCOc1cccc(N2CCN(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)c1
InChIInChI=1S/C19H28N4O4/c1-19(2)17(25)23(18(26)20-19)13-15(24)12-21-7-9-22(10-8-21)14-5-4-6-16(11-14)27-3/h4-6,11,15,24H,7-10,12-13H2,1-3H3,(H,20,26)/t15-/m0/s1
InChIKeyZFGPUGOQZJEOII-HNNXBMFYSA-N
XLogP0.51
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 47556168
1-[4-(3-methoxyphenyl)piperazin-1-yl]-3-(methylamino)propan-2-ol
CID 43187937
1-(2,2-dimethylpropoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110181732
methyl 4-[(2R)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propoxy]benzoate
CID 25332616
3-[4-(3-methoxyphenyl)piperazin-1-yl]-2,2-dimethylpropanoic acid
CID 62272663
3-[(2R)-2-hydroxy-3-(4-hydroxypiperidin-1-yl)propyl]-5,5-dimethylimidazolidine-2,4-dione
CID 95390025
(2S)-1-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-amine
CID 28599641
(5S)-5-(2,4-dichlorophenyl)-3-[(2R)-2-hydroxy-3-(4-phenylpiperazin-1-yl)propyl]-5-methylimidazolidine-2,4-dione
CID 95342863
3-[3-(3-fluorophenoxy)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 5307270
(5S)-3-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-5-(3-methoxyphenyl)-5-methylimidazolidine-2,4-dione
CID 2573818
2-[4-[3-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-2-hydroxypropyl]piperazin-1-yl]-N,N-dimethylacetamide
CID 53367764
1-(4-tert-butyl-2-methylphenoxy)-3-[4-(3-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 46557624

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione (CID 95389250) is 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione is COc1cccc(N2CCN(C[C@H](O)CN3C(=O)NC(C)(C)C3=O)CC2)c1.
What is the InChIKey of 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
The InChIKey is ZFGPUGOQZJEOII-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H28N4O4/c1-19(2)17(25)23(18(26)20-19)13-15(24)12-21-7-9-22(10-8-21)14-5-4-6-16(11-14)27-3/h4-6,11,15,24H,7-10,12-13H2,1-3H3,(H,20,26)/t15-/m0/s1.
What are the key properties of 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione?
3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione has a molecular weight of 376.46 g/mol, XLogP of 0.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-hydroxy-3-[4-(3-methoxyphenyl)piperazin-1-yl]propyl]-5,5-dimethylimidazolidine-2,4-dione is sourced from PubChem (CID 95389250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).