5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione

C25H29N3O3 — CID 45186410

IUPAC5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccccc1/C=C/CN1CCC(C2(Cc3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C25H29N3O3/c1-31-22-12-6-5-10-20(22)11-7-15-28-16-13-21(14-17-28)25(23(29)26-24(30)27-25)18-19-8-3-2-4-9-19/h2-12,21H,13-18H2,1H3,(H2,26,27,29,30)/b11-7+
InChIKeyJKMXWEURNBJGOW-YRNVUSSQSA-N
MW419.53 g/mol
LogP3.24
Rot. Bonds7

About 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione

5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 45186410) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID45186410
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESCOc1ccccc1/C=C/CN1CCC(C2(Cc3ccccc3)NC(=O)NC2=O)CC1
InChIInChI=1S/C25H29N3O3/c1-31-22-12-6-5-10-20(22)11-7-15-28-16-13-21(14-17-28)25(23(29)26-24(30)27-25)18-19-8-3-2-4-9-19/h2-12,21H,13-18H2,1H3,(H2,26,27,29,30)/b11-7+
InChIKeyJKMXWEURNBJGOW-YRNVUSSQSA-N
XLogP3.24
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(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-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42325367
9-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-1-methyl-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56754931
8-[3-(2-methoxyphenyl)prop-2-enyl]-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one
CID 4997901
(4S)-1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]azepan-4-ol
CID 129487837
5-benzyl-5-[1-(quinolin-6-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45181974
5-benzyl-5-[1-[(2-phenyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45251029
1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120781433
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
(5R)-5-benzyl-5-[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42465353
(5S)-5-benzyl-5-[1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42465361

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 45186410) is 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione is COc1ccccc1/C=C/CN1CCC(C2(Cc3ccccc3)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is JKMXWEURNBJGOW-YRNVUSSQSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-31-22-12-6-5-10-20(22)11-7-15-28-16-13-21(14-17-28)25(23(29)26-24(30)27-25)18-19-8-3-2-4-9-19/h2-12,21H,13-18H2,1H3,(H2,26,27,29,30)/b11-7+.
What are the key properties of 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 419.53 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 45186410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).