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

C14H26F3N3O2 — CID 56802896

IUPAC2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1CN(C(C)C(=O)NCC(F)(F)F)CCN1CC(C)O
InChIInChI=1S/C14H26F3N3O2/c1-4-12-8-19(5-6-20(12)7-10(2)21)11(3)13(22)18-9-14(15,16)17/h10-12,21H,4-9H2,1-3H3,(H,18,22)
InChIKeySQUVVWYEPHTNFY-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.83
Rot. Bonds6

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

2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 56802896) has the molecular formula C14H26F3N3O2 and a molecular weight of 325.38 g/mol. Its IUPAC name is 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID56802896
Molecular FormulaC14H26F3N3O2
Molecular Weight325.38 g/mol
Exact Mass325.20
IUPAC Name2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESCCC1CN(C(C)C(=O)NCC(F)(F)F)CCN1CC(C)O
InChIInChI=1S/C14H26F3N3O2/c1-4-12-8-19(5-6-20(12)7-10(2)21)11(3)13(22)18-9-14(15,16)17/h10-12,21H,4-9H2,1-3H3,(H,18,22)
InChIKeySQUVVWYEPHTNFY-UHFFFAOYSA-N
XLogP0.83
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-[(3R)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 124778877
(2S)-N-(cyclohexylmethyl)-2-[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95766473
2-[(3S)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 95602370
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95610851
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 71878628
(2S)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95309181
(2R)-2-[4-(2-ethoxyethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 95334370
(2R)-2-[(3S)-3-anilinopiperidin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 97238788
(2R)-N-cyclopropyl-2-[(3S)-4-(2-ethoxyethyl)-3-ethylpiperazin-1-yl]propanamide
CID 98761402
(2R)-1-[(2S)-2-ethyl-4-prop-2-enylpiperazin-1-yl]propan-2-ol
CID 95766538
(2S)-2-amino-1-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-3,3-dimethylbutan-1-one;dihydrochloride
CID 119880197
3-[(3S)-3-ethyl-4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-1-piperidin-1-ylpropan-1-one
CID 98767301

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 56802896) is 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is CCC1CN(C(C)C(=O)NCC(F)(F)F)CCN1CC(C)O.
What is the InChIKey of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is SQUVVWYEPHTNFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3N3O2/c1-4-12-8-19(5-6-20(12)7-10(2)21)11(3)13(22)18-9-14(15,16)17/h10-12,21H,4-9H2,1-3H3,(H,18,22).
What are the key properties of 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 325.38 g/mol, XLogP of 0.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 56802896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).