(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

C26H33N3O4 — CID 42325367

IUPAC(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESCOc1cccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)c1OC
InChIInChI=1S/C26H33N3O4/c1-32-22-12-6-11-20(23(22)33-2)18-29-16-13-21(14-17-29)26(24(30)27-25(31)28-26)15-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-12,21H,7,10,13-18H2,1-2H3,(H2,27,28,30,31)/t26-/m1/s1
InChIKeyYJVVRNRMBXSJQB-AREMUKBSSA-N
MW451.57 g/mol
LogP3.52
Rot. Bonds9

About (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione

(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (PubChem CID 42325367) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
PubChem CID42325367
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
SMILESCOc1cccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)c1OC
InChIInChI=1S/C26H33N3O4/c1-32-22-12-6-11-20(23(22)33-2)18-29-16-13-21(14-17-29)26(24(30)27-25(31)28-26)15-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-12,21H,7,10,13-18H2,1-2H3,(H2,27,28,30,31)/t26-/m1/s1
InChIKeyYJVVRNRMBXSJQB-AREMUKBSSA-N
XLogP3.52
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-(3-phenylpropyl)-5-[1-[(2-prop-2-enoxyphenyl)methyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 42168111
5-[1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45187933
5-[1-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45193668
(5R)-5-[1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42274862
(5S)-5-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 42246930
5-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45195590
(5R)-5-(3-phenylpropyl)-5-[1-(quinolin-7-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
CID 42170913
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706
5-[1-[2-(3-fluorophenyl)acetyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione
CID 45180784
5-benzyl-5-[1-[(E)-3-(2-methoxyphenyl)prop-2-enyl]piperidin-4-yl]imidazolidine-2,4-dione
CID 45186410
5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
CID 45187506
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione (CID 42325367) is (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is COc1cccc(CN2CCC([C@@]3(CCCc4ccccc4)NC(=O)NC3=O)CC2)c1OC.
What is the InChIKey of (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
The InChIKey is YJVVRNRMBXSJQB-AREMUKBSSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-32-22-12-6-11-20(23(22)33-2)18-29-16-13-21(14-17-29)26(24(30)27-25(31)28-26)15-7-10-19-8-4-3-5-9-19/h3-6,8-9,11-12,21H,7,10,13-18H2,1-2H3,(H2,27,28,30,31)/t26-/m1/s1.
What are the key properties of (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione?
(5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione has a molecular weight of 451.57 g/mol, XLogP of 3.52, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-5-(3-phenylpropyl)imidazolidine-2,4-dione is sourced from PubChem (CID 42325367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).