N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide

C22H33N5O3 — CID 162796366

About N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide

N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide (PubChem CID 162796366) has the molecular formula C22H33N5O3 and a molecular weight of 415.54 g/mol. Its IUPAC name is N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide.

Molecular Properties

• Compound Name: N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide
• PubChem CID: 162796366
• Molecular Formula: C22H33N5O3
• Molecular Weight: 415.54 g/mol
• Exact Mass: 415.26
• IUPAC Name: N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide
• SMILES: CC(=O)N1CCC(N2C[C@H]3C[C@H](C2)c2ccc(NC(=O)CN(C)C)c(=O)n2C3)CC1
• InChI: InChI=1S/C22H33N5O3/c1-15(28)25-8-6-18(7-9-25)26-11-16-10-17(13-26)20-5-4-19(22(30)27(20)12-16)23-21(29)14-24(2)3/h4-5,16-18H,6-14H2,1-3H3,(H,23,29)/t16-,17-/m1/s1
• InChIKey: QXCLWNKXVOQIAM-IAGOWNOFSA-N
• XLogP: 0.78
• TPSA: 77.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.54
LogP ≤ 5	0.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide?

The IUPAC name of N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide (CID 162796366) is N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide.

What is the SMILES notation for N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide?

The canonical SMILES for N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide is CC(=O)N1CCC(N2C[C@H]3C[C@H](C2)c2ccc(NC(=O)CN(C)C)c(=O)n2C3)CC1.

What is the InChIKey of N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide?

The InChIKey is QXCLWNKXVOQIAM-IAGOWNOFSA-N. The full InChI is InChI=1S/C22H33N5O3/c1-15(28)25-8-6-18(7-9-25)26-11-16-10-17(13-26)20-5-4-19(22(30)27(20)12-16)23-21(29)14-24(2)3/h4-5,16-18H,6-14H2,1-3H3,(H,23,29)/t16-,17-/m1/s1.

What are the key properties of N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide?

N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide has a molecular weight of 415.54 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1R,9R)-11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-5-yl]-2-(dimethylamino)acetamide is sourced from PubChem (CID 162796366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).