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

C12H22F3N3O2 — CID 95610851

IUPAC(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-9(19)7-17-3-5-18(6-4-17)10(2)11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20)/t9-,10+/m0/s1
InChIKeyWSXJPYPTBQDLBJ-VHSXEESVSA-N
MW297.32 g/mol
LogP0.05
Rot. Bonds5

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

(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 95610851) has the molecular formula C12H22F3N3O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID95610851
Molecular FormulaC12H22F3N3O2
Molecular Weight297.32 g/mol
Exact Mass297.17
IUPAC Name(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
SMILESC[C@H](O)CN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3N3O2/c1-9(19)7-17-3-5-18(6-4-17)10(2)11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20)/t9-,10+/m0/s1
InChIKeyWSXJPYPTBQDLBJ-VHSXEESVSA-N
XLogP0.05
TPSA55.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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
2-[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 56802896
2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78808512
2-[4-(2-anilino-2-oxoethyl)piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 78836771
(2S)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342273
(2R)-N-[2-(4-fluorophenyl)ethyl]-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95342275
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 124621251
2-[4-(2-hydroxypropyl)piperazin-1-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 56802864
(2S)-N-[2-(cyclohexen-1-yl)ethyl]-2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]propanamide
CID 95610834
(2R)-2-[4-[(2R)-2-hydroxy-3,3-dimethylbutyl]piperazin-1-yl]-N-prop-2-enylpropanamide
CID 95309166
(2S)-1-[4,7-bis[(2S)-2-hydroxypropyl]-1,4,7-triazonan-1-yl]propan-2-ol
CID 10935575

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide (CID 95610851) is (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is C[C@H](O)CN1CCN([C@H](C)C(=O)NCC(F)(F)F)CC1.
What is the InChIKey of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is WSXJPYPTBQDLBJ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H22F3N3O2/c1-9(19)7-17-3-5-18(6-4-17)10(2)11(20)16-8-12(13,14)15/h9-10,19H,3-8H2,1-2H3,(H,16,20)/t9-,10+/m0/s1.
What are the key properties of (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide?
(2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 297.32 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 95610851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).