[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone

C21H28N4O3 — CID 56873239

About [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone

[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone (PubChem CID 56873239) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone.

Molecular Properties

• Compound Name: [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
• PubChem CID: 56873239
• Molecular Formula: C21H28N4O3
• Molecular Weight: 384.48 g/mol
• Exact Mass: 384.22
• IUPAC Name: [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone
• SMILES: O=C(C1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC(O)C1
• InChI: InChI=1S/C21H28N4O3/c26-17-13-25(14-17)20(27)15-4-3-9-24(12-15)16-7-10-23(11-8-16)21-22-18-5-1-2-6-19(18)28-21/h1-2,5-6,15-17,26H,3-4,7-14H2
• InChIKey: LZBPFRRIFRPAPG-UHFFFAOYSA-N
• XLogP: 1.71
• TPSA: 73.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.48
LogP ≤ 5	1.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?

The IUPAC name of [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone (CID 56873239) is [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone.

What is the SMILES notation for [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?

The canonical SMILES for [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone is O=C(C1CCCN(C2CCN(c3nc4ccccc4o3)CC2)C1)N1CC(O)C1.

What is the InChIKey of [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?

The InChIKey is LZBPFRRIFRPAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c26-17-13-25(14-17)20(27)15-4-3-9-24(12-15)16-7-10-23(11-8-16)21-22-18-5-1-2-6-19(18)28-21/h1-2,5-6,15-17,26H,3-4,7-14H2.

What are the key properties of [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone?

[1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone has a molecular weight of 384.48 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [1-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]piperidin-3-yl]-(3-hydroxyazetidin-1-yl)methanone is sourced from PubChem (CID 56873239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).