1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one

C22H31N3O2 — CID 70726782

About 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one

1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one (PubChem CID 70726782) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one.

Molecular Properties

• Compound Name: 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one
• PubChem CID: 70726782
• Molecular Formula: C22H31N3O2
• Molecular Weight: 369.51 g/mol
• Exact Mass: 369.24
• IUPAC Name: 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one
• SMILES: O=C1CCCCN1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2
• InChI: InChI=1S/C22H31N3O2/c26-21-8-4-5-12-23(21)13-11-22(27)25-16-19-9-10-20(17-25)24(15-19)14-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2/t19-,20-/m1/s1
• InChIKey: QAIUWNVIUZVLCM-WOJBJXKFSA-N
• XLogP: 2.51
• TPSA: 43.86 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	369.51
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one?

The IUPAC name of 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one (CID 70726782) is 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one.

What is the SMILES notation for 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one?

The canonical SMILES for 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one is O=C1CCCCN1CCC(=O)N1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2.

What is the InChIKey of 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one?

The InChIKey is QAIUWNVIUZVLCM-WOJBJXKFSA-N. The full InChI is InChI=1S/C22H31N3O2/c26-21-8-4-5-12-23(21)13-11-22(27)25-16-19-9-10-20(17-25)24(15-19)14-18-6-2-1-3-7-18/h1-3,6-7,19-20H,4-5,8-17H2/t19-,20-/m1/s1.

What are the key properties of 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one?

1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one has a molecular weight of 369.51 g/mol, XLogP of 2.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[(1R,5R)-6-benzyl-3,6-diazabicyclo[3.2.2]nonan-3-yl]-3-oxopropyl]piperidin-2-one is sourced from PubChem (CID 70726782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).