N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

C25H28N4O2S — CID 110083596

About N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide

N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (PubChem CID 110083596) has the molecular formula C25H28N4O2S and a molecular weight of 448.59 g/mol. Its IUPAC name is N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
• PubChem CID: 110083596
• Molecular Formula: C25H28N4O2S
• Molecular Weight: 448.59 g/mol
• Exact Mass: 448.19
• IUPAC Name: N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide
• SMILES: CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1
• InChI: InChI=1S/C25H28N4O2S/c1-18(2)28-24(31)25(16-19-6-3-4-7-20(19)22-8-5-15-32-22)9-13-29(14-10-25)23(30)21-17-26-11-12-27-21/h3-8,11-12,15,17-18H,9-10,13-14,16H2,1-2H3,(H,28,31)
• InChIKey: BPHJCNDFOIHBAO-UHFFFAOYSA-N
• XLogP: 4.19
• TPSA: 75.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.59
LogP ≤ 5	4.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?

The IUPAC name of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide (CID 110083596) is N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide.

What is the SMILES notation for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?

The canonical SMILES for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2cnccn2)CC1.

What is the InChIKey of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?

The InChIKey is BPHJCNDFOIHBAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2S/c1-18(2)28-24(31)25(16-19-6-3-4-7-20(19)22-8-5-15-32-22)9-13-29(14-10-25)23(30)21-17-26-11-12-27-21/h3-8,11-12,15,17-18H,9-10,13-14,16H2,1-2H3,(H,28,31).

What are the key properties of N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide?

N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide has a molecular weight of 448.59 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-propan-2-yl-1-(pyrazine-2-carbonyl)-4-[(2-thiophen-2-ylphenyl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 110083596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).