tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride

C25H35ClF12N6O6 — CID 159828934

About tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride

tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 159828934) has the molecular formula C25H35ClF12N6O6 and a molecular weight of 779.02 g/mol. Its IUPAC name is tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

• Compound Name: tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
• PubChem CID: 159828934
• Molecular Formula: C25H35ClF12N6O6
• Molecular Weight: 779.02 g/mol
• Exact Mass: 778.21
• IUPAC Name: tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
• SMILES: CC(C)(C)OC(=O)N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1.Cl.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F
• InChI: InChI=1S/C15H21F6N3O4.C10H13F6N3O2.ClH/c1-12(2,3)28-11(27)24-6-4-13(5-7-24,23-10(26)15(19,20)21)8-22-9(25)14(16,17)18;11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;/h4-8H2,1-3H3,(H,22,25)(H,23,26);17H,1-5H2,(H,18,20)(H,19,21);1H
• InChIKey: NCLKZJACOWESLT-UHFFFAOYSA-N
• XLogP: 3.00
• TPSA: 157.97 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	779.02
LogP ≤ 5	3.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?

The IUPAC name of tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride (CID 159828934) is tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride.

What is the SMILES notation for tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?

The canonical SMILES for tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride is CC(C)(C)OC(=O)N1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1.Cl.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F.

What is the InChIKey of tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?

The InChIKey is NCLKZJACOWESLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F6N3O4.C10H13F6N3O2.ClH/c1-12(2,3)28-11(27)24-6-4-13(5-7-24,23-10(26)15(19,20)21)8-22-9(25)14(16,17)18;11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;/h4-8H2,1-3H3,(H,22,25)(H,23,26);17H,1-5H2,(H,18,20)(H,19,21);1H.

What are the key properties of tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?

tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 779.02 g/mol, XLogP of 3.00, 6 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[(2,2,2-trifluoroacetyl)amino]-4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1-carboxylate;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 159828934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).