2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C11H17F3N4O — CID 55203505

IUPAC2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C#N)N1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4O/c1-9(6-15)18-4-2-17(3-5-18)7-10(19)16-8-11(12,13)14/h9H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyKQEHKPORZMSDBQ-UHFFFAOYSA-N
MW278.28 g/mol
LogP0.19
Rot. Bonds4

About 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55203505) has the molecular formula C11H17F3N4O and a molecular weight of 278.28 g/mol. Its IUPAC name is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55203505
Molecular FormulaC11H17F3N4O
Molecular Weight278.28 g/mol
Exact Mass278.14
IUPAC Name2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC(C#N)N1CCN(CC(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C11H17F3N4O/c1-9(6-15)18-4-2-17(3-5-18)7-10(19)16-8-11(12,13)14/h9H,2-5,7-8H2,1H3,(H,16,19)
InChIKeyKQEHKPORZMSDBQ-UHFFFAOYSA-N
XLogP0.19
TPSA59.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.28
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(2-cyanoethyl)piperazin-1-yl]-N-cyclopropylpropanamide
CID 47018327
(2S)-2-amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61259613
2-Amino-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-one
CID 61260522
(2S)-4-(2-cyanopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide;propan-2-one
CID 69965667
(2S)-4-(2-cyanopropan-2-yl)-N-(2,2,2-trifluoroethyl)piperazine-2-carboxamide
CID 69965668
(2R)-2-(dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
CID 90750706
2-(Dimethylamino)-3,3,3-trifluoro-1-piperazin-1-ylpropan-1-one
CID 90923181
1-(4,4-Difluoropiperidin-1-yl)-2-(propan-2-ylamino)ethanone
CID 116991081
2-(4,4-difluoropiperidin-1-yl)-N-propan-2-ylacetamide
CID 129257461
1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
CID 130430122
1-[(2S)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
CID 130430159
(6R)-6-methyl-1-[(2R)-1,1,1-trifluoropropan-2-yl]piperazin-2-one
CID 130430312

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 55203505) is 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC(C#N)N1CCN(CC(=O)NCC(F)(F)F)CC1.
What is the InChIKey of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is KQEHKPORZMSDBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N4O/c1-9(6-15)18-4-2-17(3-5-18)7-10(19)16-8-11(12,13)14/h9H,2-5,7-8H2,1H3,(H,16,19).
What are the key properties of 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 278.28 g/mol, XLogP of 0.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-cyanoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55203505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).