1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one

C18H24N4O4 — CID 8559724

About 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one

1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one (PubChem CID 8559724) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one
• PubChem CID: 8559724
• Molecular Formula: C18H24N4O4
• Molecular Weight: 360.41 g/mol
• Exact Mass: 360.18
• IUPAC Name: 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one
• SMILES: C[C@@H](C(=O)N1CCNC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1
• InChI: InChI=1S/C18H24N4O4/c1-13(17(23)22-5-4-19-18(22)24)21-8-6-20(7-9-21)11-14-2-3-15-16(10-14)26-12-25-15/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,24)/t13-/m0/s1
• InChIKey: ZEAAWPONAIEBRQ-ZDUSSCGKSA-N
• XLogP: 0.47
• TPSA: 74.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.41
LogP ≤ 5	0.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one?

The IUPAC name of 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one (CID 8559724) is 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one.

What is the SMILES notation for 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one?

The canonical SMILES for 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one is C[C@@H](C(=O)N1CCNC1=O)N1CCN(Cc2ccc3c(c2)OCO3)CC1.

What is the InChIKey of 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one?

The InChIKey is ZEAAWPONAIEBRQ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-13(17(23)22-5-4-19-18(22)24)21-8-6-20(7-9-21)11-14-2-3-15-16(10-14)26-12-25-15/h2-3,10,13H,4-9,11-12H2,1H3,(H,19,24)/t13-/m0/s1.

What are the key properties of 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one?

1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one has a molecular weight of 360.41 g/mol, XLogP of 0.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]propanoyl]imidazolidin-2-one is sourced from PubChem (CID 8559724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).