1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide

C12H20F3N3O3 — CID 56820938

IUPAC1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCC(COCC(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H20F3N3O3/c1-8(6-21-7-12(13,14)15)17-11(20)18-4-2-9(3-5-18)10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyILYUZAXLJJPXQP-UHFFFAOYSA-N
MW311.30 g/mol
LogP0.86
Rot. Bonds5

About 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide

1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide (PubChem CID 56820938) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide.

Molecular Properties

Compound Name1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide
PubChem CID56820938
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC Name1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide
SMILESCC(COCC(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1
InChIInChI=1S/C12H20F3N3O3/c1-8(6-21-7-12(13,14)15)17-11(20)18-4-2-9(3-5-18)10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20)
InChIKeyILYUZAXLJJPXQP-UHFFFAOYSA-N
XLogP0.86
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The IUPAC name of 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide (CID 56820938) is 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide.
What is the SMILES notation for 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The canonical SMILES for 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide is CC(COCC(F)(F)F)NC(=O)N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
The InChIKey is ILYUZAXLJJPXQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-8(6-21-7-12(13,14)15)17-11(20)18-4-2-9(3-5-18)10(16)19/h8-9H,2-7H2,1H3,(H2,16,19)(H,17,20).
What are the key properties of 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide?
1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide has a molecular weight of 311.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[1-(2,2,2-trifluoroethoxy)propan-2-yl]piperidine-1,4-dicarboxamide is sourced from PubChem (CID 56820938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).