1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide

C9H16F3N3O — CID 58367579

IUPAC1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
SMILESCN1CCC(NCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C9H16F3N3O/c1-15-4-2-8(3-5-15,7(13)16)14-6-9(10,11)12/h14H,2-6H2,1H3,(H2,13,16)
InChIKeyPIEDVGLPBOCCIT-UHFFFAOYSA-N
MW239.24 g/mol
LogP0.09
Rot. Bonds3

About 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide

1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide (PubChem CID 58367579) has the molecular formula C9H16F3N3O and a molecular weight of 239.24 g/mol. Its IUPAC name is 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
PubChem CID58367579
Molecular FormulaC9H16F3N3O
Molecular Weight239.24 g/mol
Exact Mass239.12
IUPAC Name1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide
SMILESCN1CCC(NCC(F)(F)F)(C(N)=O)CC1
InChIInChI=1S/C9H16F3N3O/c1-15-4-2-8(3-5-15,7(13)16)14-6-9(10,11)12/h14H,2-6H2,1H3,(H2,13,16)
InChIKeyPIEDVGLPBOCCIT-UHFFFAOYSA-N
XLogP0.09
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The IUPAC name of 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide (CID 58367579) is 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide.
What is the SMILES notation for 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The canonical SMILES for 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide is CN1CCC(NCC(F)(F)F)(C(N)=O)CC1.
What is the InChIKey of 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
The InChIKey is PIEDVGLPBOCCIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N3O/c1-15-4-2-8(3-5-15,7(13)16)14-6-9(10,11)12/h14H,2-6H2,1H3,(H2,13,16).
What are the key properties of 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide?
1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide has a molecular weight of 239.24 g/mol, XLogP of 0.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2,2,2-trifluoroethylamino)piperidine-4-carboxamide is sourced from PubChem (CID 58367579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).