(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione

C26H33N3O4 — CID 26275267

IUPAC(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H33N3O4/c1-32-16-15-29-24(30)26(27-25(29)31,18-21-9-6-10-23(17-21)33-2)22-11-13-28(14-12-22)19-20-7-4-3-5-8-20/h3-10,17,22H,11-16,18-19H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyNOOJLPAVNBRTCY-AREMUKBSSA-N
MW451.57 g/mol
LogP3.09
Rot. Bonds9

About (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione

(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (PubChem CID 26275267) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
PubChem CID26275267
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
SMILESCOCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3)CC2)C1=O
InChIInChI=1S/C26H33N3O4/c1-32-16-15-29-24(30)26(27-25(29)31,18-21-9-6-10-23(17-21)33-2)22-11-13-28(14-12-22)19-20-7-4-3-5-8-20/h3-10,17,22H,11-16,18-19H2,1-2H3,(H,27,31)/t26-/m1/s1
InChIKeyNOOJLPAVNBRTCY-AREMUKBSSA-N
XLogP3.09
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.09
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

(5R)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]-5-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42481511
(5R)-5-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione
CID 42367835
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193946
5-[1-(2,2-diphenylethyl)piperidin-4-yl]-5-[(3-methoxyphenyl)methyl]-3-methylimidazolidine-2,4-dione
CID 45193601
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-(2-methylbutyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 45170715
(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-piperidin-4-ylimidazolidine-2,4-dione
CID 56707190
5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(E)-3-phenylprop-2-enoyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45183370
(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-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-[1-[(3R)-3-(5-methylfuran-2-yl)butyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42318147
(5R)-5-[(3-methoxyphenyl)methyl]-5-[1-[(E)-2-methylbut-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 95222574
3-cyclopentyl-5-[(3-methoxyphenyl)methyl]-5-piperidin-4-ylimidazolidine-2,4-dione
CID 118759123

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione (CID 26275267) is (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is COCCN1C(=O)N[C@](Cc2cccc(OC)c2)(C2CCN(Cc3ccccc3)CC2)C1=O.
What is the InChIKey of (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
The InChIKey is NOOJLPAVNBRTCY-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-32-16-15-29-24(30)26(27-25(29)31,18-21-9-6-10-23(17-21)33-2)22-11-13-28(14-12-22)19-20-7-4-3-5-8-20/h3-10,17,22H,11-16,18-19H2,1-2H3,(H,27,31)/t26-/m1/s1.
What are the key properties of (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione?
(5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione has a molecular weight of 451.57 g/mol, XLogP of 3.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(1-benzylpiperidin-4-yl)-3-(2-methoxyethyl)-5-[(3-methoxyphenyl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 26275267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).