N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide

C22H22ClN5O4 — CID 55818555

About N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide

N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide (PubChem CID 55818555) has the molecular formula C22H22ClN5O4 and a molecular weight of 455.90 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
• PubChem CID: 55818555
• Molecular Formula: C22H22ClN5O4
• Molecular Weight: 455.90 g/mol
• Exact Mass: 455.14
• IUPAC Name: N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide
• SMILES: Cc1nc(COc2ccc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2)no1
• InChI: InChI=1S/C22H22ClN5O4/c1-14-25-20(27-32-14)13-31-18-5-2-16(3-6-18)22(30)28-10-8-15(9-11-28)21(29)26-19-7-4-17(23)12-24-19/h2-7,12,15H,8-11,13H2,1H3,(H,24,26,29)
• InChIKey: SXOHPXGLZOFKRP-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 110.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	455.90
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide (CID 55818555) is N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide is Cc1nc(COc2ccc(C(=O)N3CCC(C(=O)Nc4ccc(Cl)cn4)CC3)cc2)no1.

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

The InChIKey is SXOHPXGLZOFKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN5O4/c1-14-25-20(27-32-14)13-31-18-5-2-16(3-6-18)22(30)28-10-8-15(9-11-28)21(29)26-19-7-4-17(23)12-24-19/h2-7,12,15H,8-11,13H2,1H3,(H,24,26,29).

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

N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide has a molecular weight of 455.90 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-chloro-2-pyridinyl)-1-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55818555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).