2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide

C22H26N4O2 — CID 42518471

About 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide

2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide (PubChem CID 42518471) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
• PubChem CID: 42518471
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide
• SMILES: Cc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1
• InChI: InChI=1S/C22H26N4O2/c1-15-5-4-8-18(25-15)14-24-21(27)13-20-22(28)23-9-10-26(20)19-11-16-6-2-3-7-17(16)12-19/h2-8,19-20H,9-14H2,1H3,(H,23,28)(H,24,27)/t20-/m0/s1
• InChIKey: UPNNDIHCHZLUOP-FQEVSTJZSA-N
• XLogP: 1.36
• TPSA: 74.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The IUPAC name of 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide (CID 42518471) is 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide.

What is the SMILES notation for 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The canonical SMILES for 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide is Cc1cccc(CNC(=O)C[C@H]2C(=O)NCCN2C2Cc3ccccc3C2)n1.

What is the InChIKey of 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

The InChIKey is UPNNDIHCHZLUOP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15-5-4-8-18(25-15)14-24-21(27)13-20-22(28)23-9-10-26(20)19-11-16-6-2-3-7-17(16)12-19/h2-8,19-20H,9-14H2,1H3,(H,23,28)(H,24,27)/t20-/m0/s1.

What are the key properties of 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide?

2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide has a molecular weight of 378.48 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2S)-1-(2,3-dihydro-1H-inden-2-yl)-3-oxopiperazin-2-yl]-N-[(6-methyl-2-pyridinyl)methyl]acetamide is sourced from PubChem (CID 42518471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).