2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide

C26H36N4O5 — CID 134804724

About 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide

2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide (PubChem CID 134804724) has the molecular formula C26H36N4O5 and a molecular weight of 484.60 g/mol. Its IUPAC name is 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide.

Molecular Properties

• Compound Name: 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
• PubChem CID: 134804724
• Molecular Formula: C26H36N4O5
• Molecular Weight: 484.60 g/mol
• Exact Mass: 484.27
• IUPAC Name: 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
• SMILES: COc1ccc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c(OC)c1
• InChI: InChI=1S/C26H36N4O5/c1-34-20-6-7-21(23(13-20)35-2)25(32)27-19-8-10-28(11-9-19)26(33)29-14-17-12-18(16-29)22-4-3-5-24(31)30(22)15-17/h6-7,13,17-19,22H,3-5,8-12,14-16H2,1-2H3,(H,27,32)/t17?,18?,22-/m1/s1
• InChIKey: ZAIMBFLCRPFJRS-RWWKDMOOSA-N
• XLogP: 2.35
• TPSA: 91.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.60
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide?

The IUPAC name of 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide (CID 134804724) is 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide.

What is the SMILES notation for 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide?

The canonical SMILES for 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide is COc1ccc(C(=O)NC2CCN(C(=O)N3CC4CC(C3)[C@H]3CCCC(=O)N3C4)CC2)c(OC)c1.

What is the InChIKey of 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide?

The InChIKey is ZAIMBFLCRPFJRS-RWWKDMOOSA-N. The full InChI is InChI=1S/C26H36N4O5/c1-34-20-6-7-21(23(13-20)35-2)25(32)27-19-8-10-28(11-9-19)26(33)29-14-17-12-18(16-29)22-4-3-5-24(31)30(22)15-17/h6-7,13,17-19,22H,3-5,8-12,14-16H2,1-2H3,(H,27,32)/t17?,18?,22-/m1/s1.

What are the key properties of 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide?

2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide has a molecular weight of 484.60 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethoxy-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide is sourced from PubChem (CID 134804724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).