5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione

C24H27F2N3O3 — CID 45193946

IUPAC5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CC2(C3CCN(Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C24H27F2N3O3/c1-28-22(30)24(27-23(28)31,14-16-4-3-5-21(12-16)32-2)18-6-8-29(9-7-18)15-17-10-19(25)13-20(26)11-17/h3-5,10-13,18H,6-9,14-15H2,1-2H3,(H,27,31)
InChIKeyIYSPNCWPZTYDII-UHFFFAOYSA-N
MW443.49 g/mol
LogP3.35
Rot. Bonds6

About 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione

5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione (PubChem CID 45193946) has the molecular formula C24H27F2N3O3 and a molecular weight of 443.49 g/mol. Its IUPAC name is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
PubChem CID45193946
Molecular FormulaC24H27F2N3O3
Molecular Weight443.49 g/mol
Exact Mass443.20
IUPAC Name5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
SMILESCOc1cccc(CC2(C3CCN(Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1
InChIInChI=1S/C24H27F2N3O3/c1-28-22(30)24(27-23(28)31,14-16-4-3-5-21(12-16)32-2)18-6-8-29(9-7-18)15-17-10-19(25)13-20(26)11-17/h3-5,10-13,18H,6-9,14-15H2,1-2H3,(H,27,31)
InChIKeyIYSPNCWPZTYDII-UHFFFAOYSA-N
XLogP3.35
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.49
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2,2-diphenylethyl)piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193601
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 26275267
(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
CID 42366758
(5R)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 42367835
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
8-[[3-[(4-fluorophenyl)methoxy]phenyl]methyl]-3-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 46977039
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123
(5R)-3-(3-hydroxypropyl)-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95210352
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45170715
(5R)-3-but-2-ynyl-5-[(3-fluorophenyl)methyl]-5-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26274397
(5S)-3-but-2-ynyl-5-[1-[(3,4-dimethylphenyl)methyl]piperidin-4-yl]-5-[(3-fluorophenyl)methyl]imidazolidine-2,4-dione
CID 42459377

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione (CID 45193946) is 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione is COc1cccc(CC2(C3CCN(Cc4cc(F)cc(F)c4)CC3)NC(=O)N(C)C2=O)c1.
What is the InChIKey of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
The InChIKey is IYSPNCWPZTYDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O3/c1-28-22(30)24(27-23(28)31,14-16-4-3-5-21(12-16)32-2)18-6-8-29(9-7-18)15-17-10-19(25)13-20(26)11-17/h3-5,10-13,18H,6-9,14-15H2,1-2H3,(H,27,31).
What are the key properties of 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione?
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione has a molecular weight of 443.49 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45193946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).