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

C21H22ClN5O2 — CID 53166137

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

N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 53166137) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
• PubChem CID: 53166137
• Molecular Formula: C21H22ClN5O2
• Molecular Weight: 411.89 g/mol
• Exact Mass: 411.15
• IUPAC Name: N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide
• SMILES: Cc1nc(-c2cccnc2N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)no1
• InChI: InChI=1S/C21H22ClN5O2/c1-14-25-19(26-29-14)18-6-3-9-23-20(18)27-10-7-16(8-11-27)21(28)24-13-15-4-2-5-17(22)12-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,28)
• InChIKey: JPPBGGAPHKUQDQ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 84.15 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.89
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide (CID 53166137) is N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide.

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

The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is Cc1nc(-c2cccnc2N2CCC(C(=O)NCc3cccc(Cl)c3)CC2)no1.

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

The InChIKey is JPPBGGAPHKUQDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-14-25-19(26-29-14)18-6-3-9-23-20(18)27-10-7-16(8-11-27)21(28)24-13-15-4-2-5-17(22)12-15/h2-6,9,12,16H,7-8,10-11,13H2,1H3,(H,24,28).

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

N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3-chlorophenyl)methyl]-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 53166137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).