2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide

C22H32N4O4S — CID 53008387

About 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide

2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide (PubChem CID 53008387) has the molecular formula C22H32N4O4S and a molecular weight of 448.59 g/mol. Its IUPAC name is 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide.

Molecular Properties

• Compound Name: 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide
• PubChem CID: 53008387
• Molecular Formula: C22H32N4O4S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.21
• IUPAC Name: 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide
• SMILES: CC(C)NC(=O)CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21
• InChI: InChI=1S/C22H32N4O4S/c1-16(2)23-21(27)15-26-20-14-17(31(29,30)24-11-5-3-6-12-24)9-10-18(20)25-13-7-4-8-19(25)22(26)28/h9-10,14,16,19H,3-8,11-13,15H2,1-2H3,(H,23,27)
• InChIKey: MJERDMYSXCJYKM-UHFFFAOYSA-N
• XLogP: 2.09
• TPSA: 90.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	2.09
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide?

The IUPAC name of 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide (CID 53008387) is 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide.

What is the SMILES notation for 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide?

The canonical SMILES for 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(=O)C2CCCCN2c2ccc(S(=O)(=O)N3CCCCC3)cc21.

What is the InChIKey of 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide?

The InChIKey is MJERDMYSXCJYKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4S/c1-16(2)23-21(27)15-26-20-14-17(31(29,30)24-11-5-3-6-12-24)9-10-18(20)25-13-7-4-8-19(25)22(26)28/h9-10,14,16,19H,3-8,11-13,15H2,1-2H3,(H,23,27).

What are the key properties of 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide?

2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide has a molecular weight of 448.59 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-oxo-3-piperidin-1-ylsulfonyl-7,8,9,10-tetrahydro-6aH-pyrido[1,2-a]quinoxalin-5-yl)-N-propan-2-ylacetamide is sourced from PubChem (CID 53008387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).