(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

C11H18F3N3O2 — CID 54528768

IUPAC(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-10(2,3)16-8(18)7-6-15-4-5-17(7)9(19)11(12,13)14/h7,15H,4-6H2,1-3H3,(H,16,18)/t7-/m0/s1
InChIKeyYUZTYFAOBMONMW-ZETCQYMHSA-N
MW281.28 g/mol
LogP0.26
Rot. Bonds1

About (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide

(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (PubChem CID 54528768) has the molecular formula C11H18F3N3O2 and a molecular weight of 281.28 g/mol. Its IUPAC name is (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
PubChem CID54528768
Molecular FormulaC11H18F3N3O2
Molecular Weight281.28 g/mol
Exact Mass281.14
IUPAC Name(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide
SMILESCC(C)(C)NC(=O)[C@@H]1CNCCN1C(=O)C(F)(F)F
InChIInChI=1S/C11H18F3N3O2/c1-10(2,3)16-8(18)7-6-15-4-5-17(7)9(19)11(12,13)14/h7,15H,4-6H2,1-3H3,(H,16,18)/t7-/m0/s1
InChIKeyYUZTYFAOBMONMW-ZETCQYMHSA-N
XLogP0.26
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The IUPAC name of (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide (CID 54528768) is (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide.
What is the SMILES notation for (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The canonical SMILES for (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is CC(C)(C)NC(=O)[C@@H]1CNCCN1C(=O)C(F)(F)F.
What is the InChIKey of (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
The InChIKey is YUZTYFAOBMONMW-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18F3N3O2/c1-10(2,3)16-8(18)7-6-15-4-5-17(7)9(19)11(12,13)14/h7,15H,4-6H2,1-3H3,(H,16,18)/t7-/m0/s1.
What are the key properties of (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide?
(2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide has a molecular weight of 281.28 g/mol, XLogP of 0.26, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-tert-butyl-1-(2,2,2-trifluoroacetyl)piperazine-2-carboxamide is sourced from PubChem (CID 54528768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).