piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid

C9H14F3N3O4 — CID 70063809

IUPACpiperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O2.C2HF3O2/c8-6(11)5-1-3-10(4-2-5)7(9)12;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,11)(H2,9,12);(H,6,7)
InChIKeyKHIUECSYIVGHQM-UHFFFAOYSA-N
MW285.22 g/mol
LogP-0.10
Rot. Bonds1

About piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid

piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 70063809) has the molecular formula C9H14F3N3O4 and a molecular weight of 285.22 g/mol. Its IUPAC name is piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Namepiperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
PubChem CID70063809
Molecular FormulaC9H14F3N3O4
Molecular Weight285.22 g/mol
Exact Mass285.09
IUPAC Namepiperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid
SMILESNC(=O)C1CCN(C(N)=O)CC1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H13N3O2.C2HF3O2/c8-6(11)5-1-3-10(4-2-5)7(9)12;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,11)(H2,9,12);(H,6,7)
InChIKeyKHIUECSYIVGHQM-UHFFFAOYSA-N
XLogP-0.10
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 68619388
Piperidine-1,3-dicarboxamide;2,2,2-trifluoroacetic acid
CID 70065222
Piperidine-4-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 87542709
N,N-Dimethylpiperidine-4-carboxamide 2,2,2-trifluoroacetate
CID 118607702
1-Hydroxypiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 159359575
2-(4-Carbamoylpiperidin-1-yl)acetic acid;2,2,2-trifluoroacetic acid
CID 162326543
N-butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171925959
1-Butylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 174854597
N-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 175947875
1-(2,2,2-Trifluoroethylcarbamoyl)piperidine-4-carboxylic acid
CID 43135809
1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
CID 47134202
1-(3,3,3-Trifluoropropylcarbamoyl)piperidine-4-carboxylic acid
CID 55175146

Frequently Asked Questions

What is the IUPAC name of piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid (CID 70063809) is piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid is NC(=O)C1CCN(C(N)=O)CC1.O=C(O)C(F)(F)F.
What is the InChIKey of piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is KHIUECSYIVGHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O2.C2HF3O2/c8-6(11)5-1-3-10(4-2-5)7(9)12;3-2(4,5)1(6)7/h5H,1-4H2,(H2,8,11)(H2,9,12);(H,6,7).
What are the key properties of piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid?
piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 285.22 g/mol, XLogP of -0.10, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-1,4-dicarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 70063809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).