1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide

C9H14F3N3O2 — CID 47134202

IUPAC1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)5-14-8(17)15-3-1-6(2-4-15)7(13)16/h6H,1-5H2,(H2,13,16)(H,14,17)
InChIKeyBGVYCYOHXIOGAE-UHFFFAOYSA-N
MW253.22 g/mol
LogP0.46
Rot. Bonds2

About 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide

1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide (PubChem CID 47134202) has the molecular formula C9H14F3N3O2 and a molecular weight of 253.22 g/mol. Its IUPAC name is 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
PubChem CID47134202
Molecular FormulaC9H14F3N3O2
Molecular Weight253.22 g/mol
Exact Mass253.10
IUPAC Name1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C9H14F3N3O2/c10-9(11,12)5-14-8(17)15-3-1-6(2-4-15)7(13)16/h6H,1-5H2,(H2,13,16)(H,14,17)
InChIKeyBGVYCYOHXIOGAE-UHFFFAOYSA-N
XLogP0.46
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide (CID 47134202) is 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide is NC(=O)C1CCN(C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide?
The InChIKey is BGVYCYOHXIOGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N3O2/c10-9(11,12)5-14-8(17)15-3-1-6(2-4-15)7(13)16/h6H,1-5H2,(H2,13,16)(H,14,17).
What are the key properties of 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide?
1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide has a molecular weight of 253.22 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2,2-trifluoroethyl)piperidine-1,4-dicarboxamide is sourced from PubChem (CID 47134202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).