3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride

C18H26ClN3O4 — CID 154892305

IUPAC3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride
SMILESCOc1cc(CN2C(=O)NC(C)(C3CCNCC3)C2=O)cc(OC)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-18(13-4-6-19-7-5-13)16(22)21(17(23)20-18)11-12-8-14(24-2)10-15(9-12)25-3;/h8-10,13,19H,4-7,11H2,1-3H3,(H,20,23);1H
InChIKeyHHBPTPGHVFKOTE-UHFFFAOYSA-N
MW383.88 g/mol
LogP1.94
Rot. Bonds5

About 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride

3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride (PubChem CID 154892305) has the molecular formula C18H26ClN3O4 and a molecular weight of 383.88 g/mol. Its IUPAC name is 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride
PubChem CID154892305
Molecular FormulaC18H26ClN3O4
Molecular Weight383.88 g/mol
Exact Mass383.16
IUPAC Name3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride
SMILESCOc1cc(CN2C(=O)NC(C)(C3CCNCC3)C2=O)cc(OC)c1.Cl
InChIInChI=1S/C18H25N3O4.ClH/c1-18(13-4-6-19-7-5-13)16(22)21(17(23)20-18)11-12-8-14(24-2)10-15(9-12)25-3;/h8-10,13,19H,4-7,11H2,1-3H3,(H,20,23);1H
InChIKeyHHBPTPGHVFKOTE-UHFFFAOYSA-N
XLogP1.94
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.88
LogP ≤ 51.94
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

3,5-dimethoxy-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]benzamide
CID 2097372
4-(3,5-Dimethoxybenzyl)-3-(2-isoxazolidin-2-yl-2-oxoethyl)piperazin-2-one
CID 16188377
N-(2-cyclohex-1-en-1-ylethyl)-2-[1-(3,5-dimethoxybenzyl)-3-oxopiperazin-2-yl]acetamide
CID 16188683
N-(3-cyclopentylpropyl)-2-[1-(3,5-dimethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24792952
N-cyclopentyl-2-[1-(3,5-dimethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24819424
(2S)-1-(2-amino-3,3-diphenylpropanoyl)-N-[(3,5-dimethoxyphenyl)methyl]pyrrolidine-2-carboxamide
CID 90663100
(5R)-5-[3-[4-(4-fluoro-3,5-dimethoxy-phenyl)-1-piperidyl]-3-oxo-propyl] imidazolidine-2,4-dione
CID 132212127
5-(3-(4-(4-Fluoro-3,5-dimethoxyphenyl) piperidin-1-yl)-3-oxopropyl)-5-yl)propionic methylimidazolidine-2,4-dione
CID 132221469
(5R)-5-[3-[4-(4-fluoro-3,5-dimethoxy-phenyl)-1-piperidyl]-3-oxo-propyl]-5-methyl-imidazolidine-2,4-dione
CID 132221525
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[(3-methoxyphenyl)methyl]acetamide
CID 16338854
N-cyclohexyl-2-[1-(3,5-dimethoxybenzyl)-3-oxo-2-piperazinyl]acetamide
CID 24793235
3-[2-(2,2-Diallyl-1-pyrrolidinyl)-2-oxoethyl]-4-(3,5-dimethoxybenzyl)-2-piperazinone
CID 16190903

Frequently Asked Questions

What is the IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride?
The IUPAC name of 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride (CID 154892305) is 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride is COc1cc(CN2C(=O)NC(C)(C3CCNCC3)C2=O)cc(OC)c1.Cl.
What is the InChIKey of 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride?
The InChIKey is HHBPTPGHVFKOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4.ClH/c1-18(13-4-6-19-7-5-13)16(22)21(17(23)20-18)11-12-8-14(24-2)10-15(9-12)25-3;/h8-10,13,19H,4-7,11H2,1-3H3,(H,20,23);1H.
What are the key properties of 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride?
3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride has a molecular weight of 383.88 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethoxyphenyl)methyl]-5-methyl-5-piperidin-4-ylimidazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 154892305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).