6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide

C33H38N4O6 — CID 142941884

About 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide

6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide (PubChem CID 142941884) has the molecular formula C33H38N4O6 and a molecular weight of 586.69 g/mol. Its IUPAC name is 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide.

Molecular Properties

• Compound Name: 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
• PubChem CID: 142941884
• Molecular Formula: C33H38N4O6
• Molecular Weight: 586.69 g/mol
• Exact Mass: 586.28
• IUPAC Name: 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide
• SMILES: CC(=O)N(C)c1ccc2oc(C(=O)NC(C)C(=O)N3CCC(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2c1
• InChI: InChI=1S/C33H38N4O6/c1-21(34-32(41)30-19-28(39)27-18-25(35(3)22(2)38)11-12-29(27)43-30)33(42)36-16-13-23(14-17-36)26-9-5-4-8-24(26)20-37-15-7-6-10-31(37)40/h4-5,8-9,11-12,18-19,21,23H,6-7,10,13-17,20H2,1-3H3,(H,34,41)
• InChIKey: DZYBNHBLVBARHR-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 120.24 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	586.69
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The IUPAC name of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide (CID 142941884) is 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide.

What is the SMILES notation for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The canonical SMILES for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide is CC(=O)N(C)c1ccc2oc(C(=O)NC(C)C(=O)N3CCC(c4ccccc4CN4CCCCC4=O)CC3)cc(=O)c2c1.

What is the InChIKey of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

The InChIKey is DZYBNHBLVBARHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N4O6/c1-21(34-32(41)30-19-28(39)27-18-25(35(3)22(2)38)11-12-29(27)43-30)33(42)36-16-13-23(14-17-36)26-9-5-4-8-24(26)20-37-15-7-6-10-31(37)40/h4-5,8-9,11-12,18-19,21,23H,6-7,10,13-17,20H2,1-3H3,(H,34,41).

What are the key properties of 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide?

6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide has a molecular weight of 586.69 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[acetyl(methyl)amino]-4-oxo-N-[1-oxo-1-[4-[2-[(2-oxopiperidin-1-yl)methyl]phenyl]piperidin-1-yl]propan-2-yl]chromene-2-carboxamide is sourced from PubChem (CID 142941884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).