(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione

C21H29N3O3 — CID 95222574

IUPAC(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC/C=C(\C)CN1CCC([C@@]2(Cc3cccc(OC)c3)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H29N3O3/c1-4-15(2)14-24-10-8-17(9-11-24)21(19(25)22-20(26)23-21)13-16-6-5-7-18(12-16)27-3/h4-7,12,17H,8-11,13-14H2,1-3H3,(H2,22,23,25,26)/b15-4+/t21-/m1/s1
InChIKeyNMOOORDYFWPXNJ-LTVHSIDISA-N
MW371.48 g/mol
LogP2.49
Rot. Bonds6

About (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione

(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 95222574) has the molecular formula C21H29N3O3 and a molecular weight of 371.48 g/mol. Its IUPAC name is (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID95222574
Molecular FormulaC21H29N3O3
Molecular Weight371.48 g/mol
Exact Mass371.22
IUPAC Name(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
SMILESC/C=C(\C)CN1CCC([C@@]2(Cc3cccc(OC)c3)NC(=O)NC2=O)CC1
InChIInChI=1S/C21H29N3O3/c1-4-15(2)14-24-10-8-17(9-11-24)21(19(25)22-20(26)23-21)13-16-6-5-7-18(12-16)27-3/h4-7,12,17H,8-11,13-14H2,1-3H3,(H2,22,23,25,26)/b15-4+/t21-/m1/s1
InChIKeyNMOOORDYFWPXNJ-LTVHSIDISA-N
XLogP2.49
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193946
(5S)-5-[(2-fluorophenyl)methyl]-5-[1-[3-(3-methoxyphenyl)propanoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 26277872
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
5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45186410
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]-3-methylimidazolidine-2,4-dione
CID 42366758
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
(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-fluorophenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 95221329
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione (CID 95222574) is (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione is C/C=C(\C)CN1CCC([C@@]2(Cc3cccc(OC)c3)NC(=O)NC2=O)CC1.
What is the InChIKey of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is NMOOORDYFWPXNJ-LTVHSIDISA-N. The full InChI is InChI=1S/C21H29N3O3/c1-4-15(2)14-24-10-8-17(9-11-24)21(19(25)22-20(26)23-21)13-16-6-5-7-18(12-16)27-3/h4-7,12,17H,8-11,13-14H2,1-3H3,(H2,22,23,25,26)/b15-4+/t21-/m1/s1.
What are the key properties of (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione?
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 371.48 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 95222574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).