1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one

C19H27N3O3 — CID 138621353

About 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one

1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one (PubChem CID 138621353) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one
• PubChem CID: 138621353
• Molecular Formula: C19H27N3O3
• Molecular Weight: 345.44 g/mol
• Exact Mass: 345.21
• IUPAC Name: 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one
• SMILES: CC1(C)CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1
• InChI: InChI=1S/C19H27N3O3/c1-19(2)13-22(18(23)20-19)14-6-5-9-21(10-14)11-15-12-24-16-7-3-4-8-17(16)25-15/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,23)/t14-,15-/m0/s1
• InChIKey: XVTPLLBGYJJPKY-GJZGRUSLSA-N
• XLogP: 2.09
• TPSA: 54.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	345.44
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one?

The IUPAC name of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one (CID 138621353) is 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one.

What is the SMILES notation for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one?

The canonical SMILES for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one is CC1(C)CN([C@H]2CCCN(C[C@H]3COc4ccccc4O3)C2)C(=O)N1.

What is the InChIKey of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one?

The InChIKey is XVTPLLBGYJJPKY-GJZGRUSLSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-19(2)13-22(18(23)20-19)14-6-5-9-21(10-14)11-15-12-24-16-7-3-4-8-17(16)25-15/h3-4,7-8,14-15H,5-6,9-13H2,1-2H3,(H,20,23)/t14-,15-/m0/s1.

What are the key properties of 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one?

1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one has a molecular weight of 345.44 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3S)-1-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]piperidin-3-yl]-4,4-dimethylimidazolidin-2-one is sourced from PubChem (CID 138621353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).