2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

C13H24F3N3O2 — CID 95602370

IUPAC2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@H]1CN(CC(=O)NCC(F)(F)F)CCN1C[C@@H](C)O
InChIInChI=1S/C13H24F3N3O2/c1-3-11-7-18(4-5-19(11)6-10(2)20)8-12(21)17-9-13(14,15)16/h10-11,20H,3-9H2,1-2H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyUYPNRTYUCDYNGY-MNOVXSKESA-N
MW311.35 g/mol
LogP0.44
Rot. Bonds6

About 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide

2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 95602370) has the molecular formula C13H24F3N3O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID95602370
Molecular FormulaC13H24F3N3O2
Molecular Weight311.35 g/mol
Exact Mass311.18
IUPAC Name2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
SMILESCC[C@H]1CN(CC(=O)NCC(F)(F)F)CCN1C[C@@H](C)O
InChIInChI=1S/C13H24F3N3O2/c1-3-11-7-18(4-5-19(11)6-10(2)20)8-12(21)17-9-13(14,15)16/h10-11,20H,3-9H2,1-2H3,(H,17,21)/t10-,11+/m1/s1
InChIKeyUYPNRTYUCDYNGY-MNOVXSKESA-N
XLogP0.44
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 56802896
N-[(1S)-1-cyano-1-cyclopropylethyl]-2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]acetamide
CID 98768752
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-pyridin-4-ylacetamide
CID 97027064
2-[(3R)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2-thiophen-3-ylethyl)acetamide
CID 98767316
2-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 98767284
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2-propylpyrazol-3-yl)acetamide
CID 100839085
3-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 98767301
3-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 95766552
(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
CID 95766538
2-[3-(methylamino)pyrrolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide;hydrochloride
CID 119905819
2-[3-[1-(methylamino)ethyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 55256658
2-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 63241706

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide (CID 95602370) is 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is CC[C@H]1CN(CC(=O)NCC(F)(F)F)CCN1C[C@@H](C)O.
What is the InChIKey of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is UYPNRTYUCDYNGY-MNOVXSKESA-N. The full InChI is InChI=1S/C13H24F3N3O2/c1-3-11-7-18(4-5-19(11)6-10(2)20)8-12(21)17-9-13(14,15)16/h10-11,20H,3-9H2,1-2H3,(H,17,21)/t10-,11+/m1/s1.
What are the key properties of 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide?
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 311.35 g/mol, XLogP of 0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 95602370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).