5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one

C23H28N4O3 — CID 170076860

IUPAC5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one
SMILESC[C@@H]1CN(C(=O)CCC2(c3ccccc3)NC(=O)NC2O)CCN1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17-16-26(14-15-27(17)19-10-6-3-7-11-19)20(28)12-13-23(18-8-4-2-5-9-18)21(29)24-22(30)25-23/h2-11,17,21,29H,12-16H2,1H3,(H2,24,25,30)/t17-,21?,23?/m1/s1
InChIKeyLMJOROWXFFMGMR-OXYBSBDGSA-N
MW408.50 g/mol
LogP2.03
Rot. Bonds5

About 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one

5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one (PubChem CID 170076860) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one.

Molecular Properties

Compound Name5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one
PubChem CID170076860
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one
SMILESC[C@@H]1CN(C(=O)CCC2(c3ccccc3)NC(=O)NC2O)CCN1c1ccccc1
InChIInChI=1S/C23H28N4O3/c1-17-16-26(14-15-27(17)19-10-6-3-7-11-19)20(28)12-13-23(18-8-4-2-5-9-18)21(29)24-22(30)25-23/h2-11,17,21,29H,12-16H2,1H3,(H2,24,25,30)/t17-,21?,23?/m1/s1
InChIKeyLMJOROWXFFMGMR-OXYBSBDGSA-N
XLogP2.03
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
5-cyclopropyl-5-[3-[(3S)-3-methyl-4-pyrimidin-5-ylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437664
5-cyclopropyl-5-[3-[(3S)-4-(1H-isoindol-5-yl)-3-methylpiperazin-1-yl]-3-oxopropyl]pyrrolidine-2,4-dione
CID 147066350
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-cyclopropylpyrrolidine-2,4-dione
CID 148755454
5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437573
3-[(2S)-4-[3-(4-cyclopropyl-2,5-dioxoimidazolidin-4-yl)propanoyl]-2-methylpiperazin-1-yl]-5-fluorobenzonitrile
CID 121437613
5-[3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-pyridin-3-ylimidazolidine-2,4-dione
CID 121437676
5-cyclopropyl-5-[3-[(3S)-3,4-dimethylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 134368735
3-[3-[(3S)-4-(3-fluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-3-methylpyrrolidine-2,5-dione
CID 147941137
5-cyclopropyl-5-[3-(4-methyl-4-phenylpiperidin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 164626807
5-[3-[(3S)-4-(3,5-difluorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]-5-(1H-pyrrol-3-yl)imidazolidine-2,4-dione
CID 141489087

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one?
The IUPAC name of 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one (CID 170076860) is 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one.
What is the SMILES notation for 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one?
The canonical SMILES for 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one is C[C@@H]1CN(C(=O)CCC2(c3ccccc3)NC(=O)NC2O)CCN1c1ccccc1.
What is the InChIKey of 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one?
The InChIKey is LMJOROWXFFMGMR-OXYBSBDGSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-17-16-26(14-15-27(17)19-10-6-3-7-11-19)20(28)12-13-23(18-8-4-2-5-9-18)21(29)24-22(30)25-23/h2-11,17,21,29H,12-16H2,1H3,(H2,24,25,30)/t17-,21?,23?/m1/s1.
What are the key properties of 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one?
5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one has a molecular weight of 408.50 g/mol, XLogP of 2.03, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]-4-phenylimidazolidin-2-one is sourced from PubChem (CID 170076860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).