(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

C20H25N3O5 — CID 8659755

About (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 8659755) has the molecular formula C20H25N3O5 and a molecular weight of 387.44 g/mol. Its IUPAC name is (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 8659755
• Molecular Formula: C20H25N3O5
• Molecular Weight: 387.44 g/mol
• Exact Mass: 387.18
• IUPAC Name: (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O
• InChI: InChI=1S/C20H25N3O5/c1-13-5-3-4-8-22(13)17(24)11-23-18(25)20(2,21-19(23)26)10-14-6-7-15-16(9-14)28-12-27-15/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H,21,26)/t13-,20+/m1/s1
• InChIKey: ATNACICQHNRVPZ-XCLFUZPHSA-N
• XLogP: 1.67
• TPSA: 88.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.44
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 8659755) is (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is C[C@@H]1CCCCN1C(=O)CN1C(=O)N[C@@](C)(Cc2ccc3c(c2)OCO3)C1=O.

What is the InChIKey of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is ATNACICQHNRVPZ-XCLFUZPHSA-N. The full InChI is InChI=1S/C20H25N3O5/c1-13-5-3-4-8-22(13)17(24)11-23-18(25)20(2,21-19(23)26)10-14-6-7-15-16(9-14)28-12-27-15/h6-7,9,13H,3-5,8,10-12H2,1-2H3,(H,21,26)/t13-,20+/m1/s1.

What are the key properties of (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione?

(5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 387.44 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-5-(1,3-benzodioxol-5-ylmethyl)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 8659755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).