N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

C23H28N6O3 — CID 53134186

About N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide

N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 53134186) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
• PubChem CID: 53134186
• Molecular Formula: C23H28N6O3
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.22
• IUPAC Name: N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide
• SMILES: COc1ccc(CNC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1
• InChI: InChI=1S/C23H28N6O3/c1-16(2)21-26-27-22(32-21)19-5-4-10-24-20(19)28-11-13-29(14-12-28)23(30)25-15-17-6-8-18(31-3)9-7-17/h4-10,16H,11-15H2,1-3H3,(H,25,30)
• InChIKey: KPARXZUJGAUIOF-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 96.62 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	436.52
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide (CID 53134186) is N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide.

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

The canonical SMILES for N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)N2CCN(c3ncccc3-c3nnc(C(C)C)o3)CC2)cc1.

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

The InChIKey is KPARXZUJGAUIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-16(2)21-26-27-22(32-21)19-5-4-10-24-20(19)28-11-13-29(14-12-28)23(30)25-15-17-6-8-18(31-3)9-7-17/h4-10,16H,11-15H2,1-3H3,(H,25,30).

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

N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-methoxyphenyl)methyl]-4-[3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 53134186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).