N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

C10H18F3N3O2 — CID 107480037

IUPACN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(CCO)CC(F)(F)F)CN1
InChIInChI=1S/C10H18F3N3O2/c1-7-4-15-8(5-14-7)9(18)16(2-3-17)6-10(11,12)13/h7-8,14-15,17H,2-6H2,1H3
InChIKeyJTWGAGLBENLQOA-UHFFFAOYSA-N
MW269.27 g/mol
LogP-0.68
Rot. Bonds4

About N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide

N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (PubChem CID 107480037) has the molecular formula C10H18F3N3O2 and a molecular weight of 269.27 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
PubChem CID107480037
Molecular FormulaC10H18F3N3O2
Molecular Weight269.27 g/mol
Exact Mass269.14
IUPAC NameN-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
SMILESCC1CNC(C(=O)N(CCO)CC(F)(F)F)CN1
InChIInChI=1S/C10H18F3N3O2/c1-7-4-15-8(5-14-7)9(18)16(2-3-17)6-10(11,12)13/h7-8,14-15,17H,2-6H2,1H3
InChIKeyJTWGAGLBENLQOA-UHFFFAOYSA-N
XLogP-0.68
TPSA64.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide (CID 107480037) is N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is CC1CNC(C(=O)N(CCO)CC(F)(F)F)CN1.
What is the InChIKey of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
The InChIKey is JTWGAGLBENLQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N3O2/c1-7-4-15-8(5-14-7)9(18)16(2-3-17)6-10(11,12)13/h7-8,14-15,17H,2-6H2,1H3.
What are the key properties of N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide?
N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide has a molecular weight of 269.27 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-5-methyl-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide is sourced from PubChem (CID 107480037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).