2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide

C28H34N4O4 — CID 93060178

About 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide

2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 93060178) has the molecular formula C28H34N4O4 and a molecular weight of 490.60 g/mol. Its IUPAC name is 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide
• PubChem CID: 93060178
• Molecular Formula: C28H34N4O4
• Molecular Weight: 490.60 g/mol
• Exact Mass: 490.26
• IUPAC Name: 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide
• SMILES: CCOc1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21
• InChI: InChI=1S/C28H34N4O4/c1-2-36-25-12-5-4-10-21(25)29-26(33)19-32-24-18-20(27(34)30-15-7-3-8-16-30)13-14-22(24)31-17-9-6-11-23(31)28(32)35/h4-5,10,12-14,18,23H,2-3,6-9,11,15-17,19H2,1H3,(H,29,33)/t23-/m0/s1
• InChIKey: FYFLUXZWUXVZSQ-QHCPKHFHSA-N
• XLogP: 4.06
• TPSA: 82.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.60
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide?

The IUPAC name of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide (CID 93060178) is 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide.

What is the SMILES notation for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide?

The canonical SMILES for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)CN1C(=O)[C@@H]2CCCCN2c2ccc(C(=O)N3CCCCC3)cc21.

What is the InChIKey of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide?

The InChIKey is FYFLUXZWUXVZSQ-QHCPKHFHSA-N. The full InChI is InChI=1S/C28H34N4O4/c1-2-36-25-12-5-4-10-21(25)29-26(33)19-32-24-18-20(27(34)30-15-7-3-8-16-30)13-14-22(24)31-17-9-6-11-23(31)28(32)35/h4-5,10,12-14,18,23H,2-3,6-9,11,15-17,19H2,1H3,(H,29,33)/t23-/m0/s1.

What are the key properties of 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide?

2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 490.60 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6aS)-6-oxo-3-(piperidine-1-carbonyl)-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl]-N-(2-ethoxyphenyl)acetamide is sourced from PubChem (CID 93060178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).