N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide

C74H105F3N22O7S — CID 158646107

About N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide

N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide (PubChem CID 158646107) has the molecular formula C74H105F3N22O7S and a molecular weight of 1503.86 g/mol. Its IUPAC name is N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide.

Molecular Properties

• Compound Name: N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide
• PubChem CID: 158646107
• Molecular Formula: C74H105F3N22O7S
• Molecular Weight: 1503.86 g/mol
• Exact Mass: 1502.82
• IUPAC Name: N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide
• SMILES: CC(C)(C)OC(=O)CCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.CS(=O)(=O)CCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.NCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1
• InChI: InChI=1S/C28H40FN7O3.C24H34FN7O3S.C22H31FN8O/c1-28(2,3)39-26(38)5-4-12-34-13-10-23(11-14-34)31-25(37)20-35-15-17-36(18-16-35)27-32-24(19-30-33-27)21-6-8-22(29)9-7-21;1-36(34,35)16-2-9-30-10-7-21(8-11-30)27-23(33)18-31-12-14-32(15-13-31)24-28-22(17-26-29-24)19-3-5-20(25)6-4-19;23-18-3-1-17(2-4-18)20-15-25-28-22(27-20)31-13-11-30(12-14-31)16-21(32)26-19-5-8-29(9-6-19)10-7-24/h6-9,19,23H,4-5,10-18,20H2,1-3H3,(H,31,37);3-6,17,21H,2,7-16,18H2,1H3,(H,27,33);1-4,15,19H,5-14,16,24H2,(H,26,32)
• InChIKey: IAZHVEOOHHQCHS-UHFFFAOYSA-N
• XLogP: 3.66
• TPSA: 318.93 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 107
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1503.86
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide?

The IUPAC name of N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide (CID 158646107) is N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide.

What is the SMILES notation for N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide?

The canonical SMILES for N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide is CC(C)(C)OC(=O)CCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.CS(=O)(=O)CCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.NCCN1CCC(NC(=O)CN2CCN(c3nncc(-c4ccc(F)cc4)n3)CC2)CC1.

What is the InChIKey of N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide?

The InChIKey is IAZHVEOOHHQCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN7O3.C24H34FN7O3S.C22H31FN8O/c1-28(2,3)39-26(38)5-4-12-34-13-10-23(11-14-34)31-25(37)20-35-15-17-36(18-16-35)27-32-24(19-30-33-27)21-6-8-22(29)9-7-21;1-36(34,35)16-2-9-30-10-7-21(8-11-30)27-23(33)18-31-12-14-32(15-13-31)24-28-22(17-26-29-24)19-3-5-20(25)6-4-19;23-18-3-1-17(2-4-18)20-15-25-28-22(27-20)31-13-11-30(12-14-31)16-21(32)26-19-5-8-29(9-6-19)10-7-24/h6-9,19,23H,4-5,10-18,20H2,1-3H3,(H,31,37);3-6,17,21H,2,7-16,18H2,1H3,(H,27,33);1-4,15,19H,5-14,16,24H2,(H,26,32).

What are the key properties of N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide?

N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide has a molecular weight of 1503.86 g/mol, XLogP of 3.66, 25 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2-aminoethyl)piperidin-4-yl]-2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide;tert-butyl 4-[4-[[2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]acetyl]amino]piperidin-1-yl]butanoate;2-[4-[5-(4-fluorophenyl)-1,2,4-triazin-3-yl]piperazin-1-yl]-N-[1-(3-methylsulfonylpropyl)piperidin-4-yl]acetamide is sourced from PubChem (CID 158646107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).