5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one

C20H28F2N4O4 — CID 137468095

IUPAC5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one
SMILESCOCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(C)(O)NC1=O
InChIInChI=1S/C20H28F2N4O4/c1-13(11-20(12-30-3)18(28)23-19(2,29)24-20)17(27)26-8-6-25(7-9-26)14-4-5-15(21)16(22)10-14/h4-5,10,13,24,29H,6-9,11-12H2,1-3H3,(H,23,28)
InChIKeyMPWLLSOKXHCEMA-UHFFFAOYSA-N
MW426.46 g/mol
LogP0.41
Rot. Bonds6

About 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one

5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one (PubChem CID 137468095) has the molecular formula C20H28F2N4O4 and a molecular weight of 426.46 g/mol. Its IUPAC name is 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one
PubChem CID137468095
Molecular FormulaC20H28F2N4O4
Molecular Weight426.46 g/mol
Exact Mass426.21
IUPAC Name5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one
SMILESCOCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(C)(O)NC1=O
InChIInChI=1S/C20H28F2N4O4/c1-13(11-20(12-30-3)18(28)23-19(2,29)24-20)17(27)26-8-6-25(7-9-26)14-4-5-15(21)16(22)10-14/h4-5,10,13,24,29H,6-9,11-12H2,1-3H3,(H,23,28)
InChIKeyMPWLLSOKXHCEMA-UHFFFAOYSA-N
XLogP0.41
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.46
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-5-[(2S)-3-[(3S)-4-(3-chloro-4-fluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidine-2,4-dione
CID 121438010
5-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-(2-methoxyethoxymethyl)imidazolidine-2,4-dione
CID 137467905
5-[3-[4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-methylimidazolidine-2,4-dione
CID 121437982
5-[3-[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 137467951
5-[3-[(3S)-4-(3-chlorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]-5-(methoxymethyl)imidazolidin-4-one
CID 146266061
azetidine;N-[[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]carbamoyl]acetamide
CID 145108881
tert-butyl N-[6-[4-(3,4-difluorophenyl)piperazin-1-yl]-5-methyl-3,6-dioxohexyl]carbamate
CID 121449046
1-[4-(3,4-difluorophenyl)piperazin-1-yl]-2,2-diphenylethanone
CID 113081358
tert-butyl 4-[[4-[3-[4-(3,5-dichlorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2,5-dioxoimidazolidin-4-yl]methyl]piperidine-1-carboxylate
CID 121437721
[4-(3-chloro-4-fluorophenyl)piperazin-1-yl]-[1-(methoxymethyl)cyclobutyl]methanone
CID 74235574
1-[4-(3,4-difluorophenyl)-1,4-diazepan-1-yl]-2-(1-methoxypiperidin-4-yl)ethanone
CID 155952819
5-(1-acetylazetidin-3-yl)-5-[3-[(3S)-4-(3,4-difluorophenyl)-3-methylpiperazin-1-yl]-2-methyl-3-oxopropyl]pyrrolidine-2,4-dione
CID 159218788

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one?
The IUPAC name of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one (CID 137468095) is 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one.
What is the SMILES notation for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one?
The canonical SMILES for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one is COCC1(CC(C)C(=O)N2CCN(c3ccc(F)c(F)c3)CC2)NC(C)(O)NC1=O.
What is the InChIKey of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one?
The InChIKey is MPWLLSOKXHCEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28F2N4O4/c1-13(11-20(12-30-3)18(28)23-19(2,29)24-20)17(27)26-8-6-25(7-9-26)14-4-5-15(21)16(22)10-14/h4-5,10,13,24,29H,6-9,11-12H2,1-3H3,(H,23,28).
What are the key properties of 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one?
5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one has a molecular weight of 426.46 g/mol, XLogP of 0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[4-(3,4-difluorophenyl)piperazin-1-yl]-2-methyl-3-oxopropyl]-2-hydroxy-5-(methoxymethyl)-2-methylimidazolidin-4-one is sourced from PubChem (CID 137468095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).