2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide

C28H30N4O3 — CID 59662206

About 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide

2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 59662206) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide
• PubChem CID: 59662206
• Molecular Formula: C28H30N4O3
• Molecular Weight: 470.57 g/mol
• Exact Mass: 470.23
• IUPAC Name: 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide
• SMILES: O=C(NCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1
• InChI: InChI=1S/C28H30N4O3/c33-27-20-35-26-11-4-3-10-25(26)32(27)18-17-31-15-12-21(13-16-31)23-8-1-2-9-24(23)28(34)30-19-22-7-5-6-14-29-22/h1-11,14,21H,12-13,15-20H2,(H,30,34)
• InChIKey: RWHLDWAZBKIMJF-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 74.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.57
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide?

The IUPAC name of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 59662206) is 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide.

What is the SMILES notation for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide?

The canonical SMILES for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide is O=C(NCc1ccccn1)c1ccccc1C1CCN(CCN2C(=O)COc3ccccc32)CC1.

What is the InChIKey of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide?

The InChIKey is RWHLDWAZBKIMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c33-27-20-35-26-11-4-3-10-25(26)32(27)18-17-31-15-12-21(13-16-31)23-8-1-2-9-24(23)28(34)30-19-22-7-5-6-14-29-22/h1-11,14,21H,12-13,15-20H2,(H,30,34).

What are the key properties of 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide?

2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 470.57 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 59662206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).