N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide

C29H32N4O3 — CID 85006860

About N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide

N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide (PubChem CID 85006860) has the molecular formula C29H32N4O3 and a molecular weight of 484.60 g/mol. Its IUPAC name is N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide.

Molecular Properties

• Compound Name: N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide
• PubChem CID: 85006860
• Molecular Formula: C29H32N4O3
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.25
• IUPAC Name: N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide
• SMILES: CC(=O)N1CCC(N2CC3CC(C2)c2c(NC(=O)c4ccc5ccccc5c4)ccc(=O)n2C3)CC1
• InChI: InChI=1S/C29H32N4O3/c1-19(34)31-12-10-25(11-13-31)32-16-20-14-24(18-32)28-26(8-9-27(35)33(28)17-20)30-29(36)23-7-6-21-4-2-3-5-22(21)15-23/h2-9,15,20,24-25H,10-14,16-18H2,1H3,(H,30,36)
• InChIKey: YYDMMNYQABLJDZ-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 74.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide?

The IUPAC name of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide (CID 85006860) is N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide.

What is the SMILES notation for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide?

The canonical SMILES for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide is CC(=O)N1CCC(N2CC3CC(C2)c2c(NC(=O)c4ccc5ccccc5c4)ccc(=O)n2C3)CC1.

What is the InChIKey of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide?

The InChIKey is YYDMMNYQABLJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O3/c1-19(34)31-12-10-25(11-13-31)32-16-20-14-24(18-32)28-26(8-9-27(35)33(28)17-20)30-29(36)23-7-6-21-4-2-3-5-22(21)15-23/h2-9,15,20,24-25H,10-14,16-18H2,1H3,(H,30,36).

What are the key properties of N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide?

N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide has a molecular weight of 484.60 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[11-(1-acetylpiperidin-4-yl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-3-yl]naphthalene-2-carboxamide is sourced from PubChem (CID 85006860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).