(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C25H28FN3O5 — CID 42331802

IUPAC(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1OCC(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C25H28FN3O5/c1-25(23(31)29(24(32)27-25)15-17-7-9-19(26)10-8-17)18-11-13-28(14-12-18)22(30)16-34-21-6-4-3-5-20(21)33-2/h3-10,18H,11-16H2,1-2H3,(H,27,32)/t25-/m1/s1
InChIKeyFXDYZUWXYXKGRZ-RUZDIDTESA-N
MW469.51 g/mol
LogP2.96
Rot. Bonds7

About (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 42331802) has the molecular formula C25H28FN3O5 and a molecular weight of 469.51 g/mol. Its IUPAC name is (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID42331802
Molecular FormulaC25H28FN3O5
Molecular Weight469.51 g/mol
Exact Mass469.20
IUPAC Name(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1ccccc1OCC(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1
InChIInChI=1S/C25H28FN3O5/c1-25(23(31)29(24(32)27-25)15-17-7-9-19(26)10-8-17)18-11-13-28(14-12-18)22(30)16-34-21-6-4-3-5-20(21)33-2/h3-10,18H,11-16H2,1-2H3,(H,27,32)/t25-/m1/s1
InChIKeyFXDYZUWXYXKGRZ-RUZDIDTESA-N
XLogP2.96
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.51
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-3-[(4-fluorophenyl)methyl]-5-[1-[(2S)-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 42452710
5-methyl-5-[1-[2-(4-phenylphenyl)acetyl]piperidin-4-yl]-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 45174615
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45194202
5-cyclopropyl-3-[2-[4-[(3,4-dimethoxyphenyl)methyl]piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 17440358
3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45210275
(5R)-3-[(4-fluorophenyl)methyl]-5-methyl-5-[1-[(3-methylquinoxalin-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26325942
(5S)-3-[2-(dimethylamino)ethyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42463193
(5R)-5-[1-[(E)-3-(3,5-difluorophenyl)prop-2-enoyl]piperidin-4-yl]-5-methyl-3-(pyridin-4-ylmethyl)imidazolidine-2,4-dione
CID 42407203
5-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-5-methyl-3-(thiophen-3-ylmethyl)imidazolidine-2,4-dione
CID 45182819
N-[1-[2-(2-ethoxyphenoxy)acetyl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
CID 108549679
N-[5-[[4-[(4S)-1-[(4-fluorophenyl)methyl]-4-methyl-2,5-dioxoimidazolidin-4-yl]piperidin-1-yl]methyl]thiophen-2-yl]acetamide
CID 26346018
2,4-difluoro-N-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108566626

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 42331802) is (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1ccccc1OCC(=O)N1CCC([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)CC1.
What is the InChIKey of (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is FXDYZUWXYXKGRZ-RUZDIDTESA-N. The full InChI is InChI=1S/C25H28FN3O5/c1-25(23(31)29(24(32)27-25)15-17-7-9-19(26)10-8-17)18-11-13-28(14-12-18)22(30)16-34-21-6-4-3-5-20(21)33-2/h3-10,18H,11-16H2,1-2H3,(H,27,32)/t25-/m1/s1.
What are the key properties of (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
(5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 469.51 g/mol, XLogP of 2.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-fluorophenyl)methyl]-5-[1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 42331802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).