2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride

C10H14ClF6N3O2 — CID 86641913

IUPAC2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCl.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2.ClH/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;/h17H,1-5H2,(H,18,20)(H,19,21);1H
InChIKeyVDIJZPUOBAKMEU-UHFFFAOYSA-N
MW357.68 g/mol
LogP0.89
Rot. Bonds3

About 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride

2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride (PubChem CID 86641913) has the molecular formula C10H14ClF6N3O2 and a molecular weight of 357.68 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
PubChem CID86641913
Molecular FormulaC10H14ClF6N3O2
Molecular Weight357.68 g/mol
Exact Mass357.07
IUPAC Name2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride
SMILESCl.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F
InChIInChI=1S/C10H13F6N3O2.ClH/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;/h17H,1-5H2,(H,18,20)(H,19,21);1H
InChIKeyVDIJZPUOBAKMEU-UHFFFAOYSA-N
XLogP0.89
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.68
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?
The IUPAC name of 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride (CID 86641913) is 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride.
What is the SMILES notation for 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?
The canonical SMILES for 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride is Cl.O=C(NCC1(NC(=O)C(F)(F)F)CCNCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?
The InChIKey is VDIJZPUOBAKMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F6N3O2.ClH/c11-9(12,13)6(20)18-5-8(1-3-17-4-2-8)19-7(21)10(14,15)16;/h17H,1-5H2,(H,18,20)(H,19,21);1H.
What are the key properties of 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride?
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride has a molecular weight of 357.68 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide;hydrochloride is sourced from PubChem (CID 86641913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).