2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate

C57H66N12O8 — CID 157091266

About 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate

2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate (PubChem CID 157091266) has the molecular formula C57H66N12O8 and a molecular weight of 1047.23 g/mol. Its IUPAC name is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate.

Molecular Properties

• Compound Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate
• PubChem CID: 157091266
• Molecular Formula: C57H66N12O8
• Molecular Weight: 1047.23 g/mol
• Exact Mass: 1046.51
• IUPAC Name: 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate
• SMILES: CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCCCC2)cn1.COC(=O)c1cnc(N2CCCCC2)cn1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)cn1
• InChI: InChI=1S/C26H30N4O4.C20H21N5O2.C11H15N3O2/c1-26(2,3)34-25(32)29-21-8-7-18(19-9-12-33-17-19)13-20(21)14-23(31)22-15-28-24(16-27-22)30-10-5-4-6-11-30;21-17-2-1-14(15-3-8-27-13-15)9-16(17)10-19(26)18-11-24-20(12-23-18)25-6-4-22-5-7-25;1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14/h7-9,12-13,15-17H,4-6,10-11,14H2,1-3H3,(H,29,32);1-3,8-9,11-13,22H,4-7,10,21H2;7-8H,2-6H2,1H3
• InChIKey: AERPPOFNNXUWTE-UHFFFAOYSA-N
• XLogP: 8.91
• TPSA: 250.16 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 13
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1047.23
LogP ≤ 5	8.91
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate?

The IUPAC name of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate (CID 157091266) is 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate.

What is the SMILES notation for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate?

The canonical SMILES for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate is CC(C)(C)OC(=O)Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCCCC2)cn1.COC(=O)c1cnc(N2CCCCC2)cn1.Nc1ccc(-c2ccoc2)cc1CC(=O)c1cnc(N2CCNCC2)cn1.

What is the InChIKey of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate?

The InChIKey is AERPPOFNNXUWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O4.C20H21N5O2.C11H15N3O2/c1-26(2,3)34-25(32)29-21-8-7-18(19-9-12-33-17-19)13-20(21)14-23(31)22-15-28-24(16-27-22)30-10-5-4-6-11-30;21-17-2-1-14(15-3-8-27-13-15)9-16(17)10-19(26)18-11-24-20(12-23-18)25-6-4-22-5-7-25;1-16-11(15)9-7-13-10(8-12-9)14-5-3-2-4-6-14/h7-9,12-13,15-17H,4-6,10-11,14H2,1-3H3,(H,29,32);1-3,8-9,11-13,22H,4-7,10,21H2;7-8H,2-6H2,1H3.

What are the key properties of 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate?

2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate has a molecular weight of 1047.23 g/mol, XLogP of 8.91, 13 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-amino-5-(furan-3-yl)phenyl]-1-(5-piperazin-1-ylpyrazin-2-yl)ethanone;tert-butyl N-[4-(furan-3-yl)-2-[2-oxo-2-(5-piperidin-1-ylpyrazin-2-yl)ethyl]phenyl]carbamate;methyl 5-piperidin-1-ylpyrazine-2-carboxylate is sourced from PubChem (CID 157091266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).