3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide

C26H24N6O3 — CID 166208156

About 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide

3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide (PubChem CID 166208156) has the molecular formula C26H24N6O3 and a molecular weight of 468.52 g/mol. Its IUPAC name is 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide.

Molecular Properties

• Compound Name: 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide
• PubChem CID: 166208156
• Molecular Formula: C26H24N6O3
• Molecular Weight: 468.52 g/mol
• Exact Mass: 468.19
• IUPAC Name: 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide
• SMILES: O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N1CCCC(c2nc3ccccc3o2)C1
• InChI: InChI=1S/C26H24N6O3/c33-25(30-13-6-8-19(17-30)24-28-21-10-1-2-11-22(21)35-24)27-20-9-5-7-18(15-20)16-32-26(34)31-14-4-3-12-23(31)29-32/h1-5,7,9-12,14-15,19H,6,8,13,16-17H2,(H,27,33)
• InChIKey: SWLCSPLAQYCBIL-UHFFFAOYSA-N
• XLogP: 4.10
• TPSA: 97.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.52
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide?

The IUPAC name of 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide (CID 166208156) is 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide.

What is the SMILES notation for 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide?

The canonical SMILES for 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide is O=C(Nc1cccc(Cn2nc3ccccn3c2=O)c1)N1CCCC(c2nc3ccccc3o2)C1.

What is the InChIKey of 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide?

The InChIKey is SWLCSPLAQYCBIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O3/c33-25(30-13-6-8-19(17-30)24-28-21-10-1-2-11-22(21)35-24)27-20-9-5-7-18(15-20)16-32-26(34)31-14-4-3-12-23(31)29-32/h1-5,7,9-12,14-15,19H,6,8,13,16-17H2,(H,27,33).

What are the key properties of 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide?

3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide has a molecular weight of 468.52 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzoxazol-2-yl)-N-[3-[(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)methyl]phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 166208156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).