N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

C19H18BrClN4O3 — CID 55813629

About N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (PubChem CID 55813629) has the molecular formula C19H18BrClN4O3 and a molecular weight of 465.74 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
• PubChem CID: 55813629
• Molecular Formula: C19H18BrClN4O3
• Molecular Weight: 465.74 g/mol
• Exact Mass: 464.03
• IUPAC Name: N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide
• SMILES: O=C(Nc1ccc(Br)cn1)C1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1
• InChI: InChI=1S/C19H18BrClN4O3/c20-13-1-4-17(22-10-13)23-18(26)12-5-7-24(8-6-12)11-25-15-3-2-14(21)9-16(15)28-19(25)27/h1-4,9-10,12H,5-8,11H2,(H,22,23,26)
• InChIKey: YBOVGORSJOTGCT-UHFFFAOYSA-N
• XLogP: 3.71
• TPSA: 80.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.74
LogP ≤ 5	3.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide (CID 55813629) is N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is O=C(Nc1ccc(Br)cn1)C1CCN(Cn2c(=O)oc3cc(Cl)ccc32)CC1.

What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?

The InChIKey is YBOVGORSJOTGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN4O3/c20-13-1-4-17(22-10-13)23-18(26)12-5-7-24(8-6-12)11-25-15-3-2-14(21)9-16(15)28-19(25)27/h1-4,9-10,12H,5-8,11H2,(H,22,23,26).

What are the key properties of N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide?

N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide has a molecular weight of 465.74 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-2-pyridinyl)-1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 55813629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).