N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide

C16H30F3N3O2 — CID 170529661

IUPACN-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)C[C@H]1C(F)(F)F
InChIInChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-22-8-7-21(6-5-9-24-13(3)4)10-14(22)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyBOWWTWBWRWLZNG-AWEZNQCLSA-N
MW353.43 g/mol
LogP1.87
Rot. Bonds8

About N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide

N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide (PubChem CID 170529661) has the molecular formula C16H30F3N3O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
PubChem CID170529661
Molecular FormulaC16H30F3N3O2
Molecular Weight353.43 g/mol
Exact Mass353.23
IUPAC NameN-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
SMILESCC(C)NC(=O)CN1CCN(CCCOC(C)C)C[C@H]1C(F)(F)F
InChIInChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-22-8-7-21(6-5-9-24-13(3)4)10-14(22)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m0/s1
InChIKeyBOWWTWBWRWLZNG-AWEZNQCLSA-N
XLogP1.87
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(2~{R},5~{S})-2,5-dimethylmorpholin-4-yl]-~{N}-ethyl-ethanamide
CID 94066300
2-[4-(2-methoxyethyl)-3-methylpiperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 53609803
N-[(2S)-1-[(3R,4S)-3-fluoro-4-methoxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 121247088
N-[(2S)-1-[(3R,4S)-3-fluoro-4-propan-2-yloxypiperidin-1-yl]-1-oxopropan-2-yl]acetamide
CID 121261864
2,2,2-trifluoro-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]acetamide
CID 122605534
Ethane;2-(methylamino)-1-[2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 168940340
2-(ethylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone;molecular hydrogen
CID 168940437
2-(propan-2-ylamino)-1-[(2R)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948883
2-(propan-2-ylamino)-1-[(2S)-2-(trifluoromethyl)morpholin-4-yl]ethanone
CID 169948884
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372041
N-propan-2-yl-2-[(2R)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372044
N-propan-2-yl-2-[4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372181

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The IUPAC name of N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide (CID 170529661) is N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide is CC(C)NC(=O)CN1CCN(CCCOC(C)C)C[C@H]1C(F)(F)F.
What is the InChIKey of N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
The InChIKey is BOWWTWBWRWLZNG-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H30F3N3O2/c1-12(2)20-15(23)11-22-8-7-21(6-5-9-24-13(3)4)10-14(22)16(17,18)19/h12-14H,5-11H2,1-4H3,(H,20,23)/t14-/m0/s1.
What are the key properties of N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide?
N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide has a molecular weight of 353.43 g/mol, XLogP of 1.87, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-[(2S)-4-(3-propan-2-yloxypropyl)-2-(trifluoromethyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 170529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).