3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

C10H18F3N3O2 — CID 83992265

IUPAC3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)6-15-8-3-7(1-2-17)4-16(5-8)9(14)18/h7-8,15,17H,1-6H2,(H2,14,18)
InChIKeyVJAHPKNWRONVJJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP0.29
Rot. Bonds4

About 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide

3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (PubChem CID 83992265) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
PubChem CID83992265
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC Name3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide
SMILESNC(=O)N1CC(CCO)CC(NCC(F)(F)F)C1
InChIInChI=1S/C10H18F3N3O2/c11-10(12,13)6-15-8-3-7(1-2-17)4-16(5-8)9(14)18/h7-8,15,17H,1-6H2,(H2,14,18)
InChIKeyVJAHPKNWRONVJJ-UHFFFAOYSA-N
XLogP0.29
TPSA78.59 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The IUPAC name of 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide (CID 83992265) is 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The canonical SMILES for 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is NC(=O)N1CC(CCO)CC(NCC(F)(F)F)C1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
The InChIKey is VJAHPKNWRONVJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c11-10(12,13)6-15-8-3-7(1-2-17)4-16(5-8)9(14)18/h7-8,15,17H,1-6H2,(H2,14,18).
What are the key properties of 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide?
3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide has a molecular weight of 269.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-(2,2,2-trifluoroethylamino)piperidine-1-carboxamide is sourced from PubChem (CID 83992265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).