N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide

C20H28N3O3+ — CID 9370672

About N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide

N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide (PubChem CID 9370672) has the molecular formula C20H28N3O3+ and a molecular weight of 358.46 g/mol. Its IUPAC name is N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide.

Molecular Properties

• Compound Name: N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide
• PubChem CID: 9370672
• Molecular Formula: C20H28N3O3+
• Molecular Weight: 358.46 g/mol
• Exact Mass: 358.21
• IUPAC Name: N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide
• SMILES: O=C(C[NH+]1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)NC1CC1
• InChI: InChI=1S/C20H27N3O3/c24-19(21-17-5-6-17)13-22-8-10-23(11-9-22)20(25)14-26-18-7-4-15-2-1-3-16(15)12-18/h4,7,12,17H,1-3,5-6,8-11,13-14H2,(H,21,24)/p+1
• InChIKey: GSIJCJAVVAZZKG-UHFFFAOYSA-O
• XLogP: -0.44
• TPSA: 63.08 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.46
LogP ≤ 5	-0.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide?

The IUPAC name of N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide (CID 9370672) is N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide.

What is the SMILES notation for N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide?

The canonical SMILES for N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide is O=C(C[NH+]1CCN(C(=O)COc2ccc3c(c2)CCC3)CC1)NC1CC1.

What is the InChIKey of N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide?

The InChIKey is GSIJCJAVVAZZKG-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H27N3O3/c24-19(21-17-5-6-17)13-22-8-10-23(11-9-22)20(25)14-26-18-7-4-15-2-1-3-16(15)12-18/h4,7,12,17H,1-3,5-6,8-11,13-14H2,(H,21,24)/p+1.

What are the key properties of N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide?

N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide has a molecular weight of 358.46 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-2-[4-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]piperazin-1-ium-1-yl]acetamide is sourced from PubChem (CID 9370672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).