5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

C18H25N3O4 — CID 45187506

IUPAC5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(OC)c1CN1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H25N3O4/c1-18(16(22)19-17(23)20-18)12-7-9-21(10-8-12)11-13-14(24-2)5-4-6-15(13)25-3/h4-6,12H,7-11H2,1-3H3,(H2,19,20,22,23)
InChIKeyPSMFGEYAJQBYBT-UHFFFAOYSA-N
MW347.42 g/mol
LogP1.51
Rot. Bonds5

About 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione

5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 45187506) has the molecular formula C18H25N3O4 and a molecular weight of 347.42 g/mol. Its IUPAC name is 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID45187506
Molecular FormulaC18H25N3O4
Molecular Weight347.42 g/mol
Exact Mass347.18
IUPAC Name5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCOc1cccc(OC)c1CN1CCC(C2(C)NC(=O)NC2=O)CC1
InChIInChI=1S/C18H25N3O4/c1-18(16(22)19-17(23)20-18)12-7-9-21(10-8-12)11-13-14(24-2)5-4-6-15(13)25-3/h4-6,12H,7-11H2,1-3H3,(H2,19,20,22,23)
InChIKeyPSMFGEYAJQBYBT-UHFFFAOYSA-N
XLogP1.51
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione (CID 45187506) is 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is COc1cccc(OC)c1CN1CCC(C2(C)NC(=O)NC2=O)CC1.
What is the InChIKey of 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is PSMFGEYAJQBYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O4/c1-18(16(22)19-17(23)20-18)12-7-9-21(10-8-12)11-13-14(24-2)5-4-6-15(13)25-3/h4-6,12H,7-11H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione?
5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 347.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2,6-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 45187506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).