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

C24H31FN4O3 — CID 134804287

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

2-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide (PubChem CID 134804287) has the molecular formula C24H31FN4O3 and a molecular weight of 442.54 g/mol. Its IUPAC name is 2-fluoro-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-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
• PubChem CID: 134804287
• Molecular Formula: C24H31FN4O3
• Molecular Weight: 442.54 g/mol
• Exact Mass: 442.24
• IUPAC Name: 2-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide
• SMILES: O=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccc1F
• InChI: InChI=1S/C24H31FN4O3/c25-20-5-2-1-4-19(20)23(31)26-18-8-10-27(11-9-18)24(32)28-13-16-12-17(15-28)21-6-3-7-22(30)29(21)14-16/h1-2,4-5,16-18,21H,3,6-15H2,(H,26,31)/t16?,17?,21-/m1/s1
• InChIKey: KJZFHWVSJNKNFI-MYKUNDNFSA-N
• XLogP: 2.47
• TPSA: 72.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.54
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-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-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide (CID 134804287) is 2-fluoro-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-fluoro-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-fluoro-N-[1-[(2R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbonyl]piperidin-4-yl]benzamide is O=C(NC1CCN(C(=O)N2CC3CC(C2)[C@H]2CCCC(=O)N2C3)CC1)c1ccccc1F.

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

The InChIKey is KJZFHWVSJNKNFI-MYKUNDNFSA-N. The full InChI is InChI=1S/C24H31FN4O3/c25-20-5-2-1-4-19(20)23(31)26-18-8-10-27(11-9-18)24(32)28-13-16-12-17(15-28)21-6-3-7-22(30)29(21)14-16/h1-2,4-5,16-18,21H,3,6-15H2,(H,26,31)/t16?,17?,21-/m1/s1.

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

2-fluoro-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 442.54 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 2-fluoro-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 134804287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).