1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

C12H20F3N3O2 — CID 42959233

IUPAC1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)17-11(20)18-5-3-4-9(6-18)10(19)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDOCKQEPTHBSGOT-UHFFFAOYSA-N
MW295.31 g/mol
LogP1.49
Rot. Bonds3

About 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide

1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (PubChem CID 42959233) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
PubChem CID42959233
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Name1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide
SMILESCC(C)NC(=O)N1CCCC(C(=O)NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c1-8(2)17-11(20)18-5-3-4-9(6-18)10(19)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20)
InChIKeyDOCKQEPTHBSGOT-UHFFFAOYSA-N
XLogP1.49
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The IUPAC name of 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide (CID 42959233) is 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is CC(C)NC(=O)N1CCCC(C(=O)NCC(F)(F)F)C1.
What is the InChIKey of 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
The InChIKey is DOCKQEPTHBSGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O2/c1-8(2)17-11(20)18-5-3-4-9(6-18)10(19)16-7-12(13,14)15/h8-9H,3-7H2,1-2H3,(H,16,19)(H,17,20).
What are the key properties of 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide?
1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide has a molecular weight of 295.31 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-propan-2-yl-3-N-(2,2,2-trifluoroethyl)piperidine-1,3-dicarboxamide is sourced from PubChem (CID 42959233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).