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

C20H21ClN4O3 — CID 55865731

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

1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (PubChem CID 55865731) has the molecular formula C20H21ClN4O3 and a molecular weight of 400.87 g/mol. Its IUPAC name is 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• PubChem CID: 55865731
• Molecular Formula: C20H21ClN4O3
• Molecular Weight: 400.87 g/mol
• Exact Mass: 400.13
• IUPAC Name: 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide
• SMILES: Cc1ccc(NC(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)nc1
• InChI: InChI=1S/C20H21ClN4O3/c1-13-2-5-18(22-11-13)23-19(26)14-6-8-24(9-7-14)12-25-16-4-3-15(21)10-17(16)28-20(25)27/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,23,26)
• InChIKey: HXLRKHSARDQZCF-UHFFFAOYSA-N
• XLogP: 3.26
• 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	400.87
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide (CID 55865731) is 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide.

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

The canonical SMILES for 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is Cc1ccc(NC(=O)C2CCN(Cn3c(=O)oc4cc(Cl)ccc43)CC2)nc1.

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

The InChIKey is HXLRKHSARDQZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O3/c1-13-2-5-18(22-11-13)23-19(26)14-6-8-24(9-7-14)12-25-16-4-3-15(21)10-17(16)28-20(25)27/h2-5,10-11,14H,6-9,12H2,1H3,(H,22,23,26).

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

1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide has a molecular weight of 400.87 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(6-chloro-2-oxo-1,3-benzoxazol-3-yl)methyl]-N-(5-methyl-2-pyridinyl)piperidine-4-carboxamide is sourced from PubChem (CID 55865731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).