2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide

C17H33F2N3O2 — CID 170529693

IUPAC2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(C)CN(CC(F)(F)COC(C)C)CC1C
InChIInChI=1S/C17H33F2N3O2/c1-12(2)20-16(23)9-22-14(5)7-21(8-15(22)6)10-17(18,19)11-24-13(3)4/h12-15H,7-11H2,1-6H3,(H,20,23)
InChIKeyAAMWYPMCPIAIDB-UHFFFAOYSA-N
MW349.47 g/mol
LogP1.97
Rot. Bonds8

About 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide

2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170529693) has the molecular formula C17H33F2N3O2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID170529693
Molecular FormulaC17H33F2N3O2
Molecular Weight349.47 g/mol
Exact Mass349.25
IUPAC Name2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1C(C)CN(CC(F)(F)COC(C)C)CC1C
InChIInChI=1S/C17H33F2N3O2/c1-12(2)20-16(23)9-22-14(5)7-21(8-15(22)6)10-17(18,19)11-24-13(3)4/h12-15H,7-11H2,1-6H3,(H,20,23)
InChIKeyAAMWYPMCPIAIDB-UHFFFAOYSA-N
XLogP1.97
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.47
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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
2-[4-(2,2-Difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-1-(4-propan-2-ylpiperazin-1-yl)ethanone
CID 170371807
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
N-propan-2-yl-2-[(3R)-4-(3-propan-2-yloxypropyl)-3-(trifluoromethyl)piperazin-1-yl]acetamide
CID 170372182

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (CID 170529693) is 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1C(C)CN(CC(F)(F)COC(C)C)CC1C.
What is the InChIKey of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AAMWYPMCPIAIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33F2N3O2/c1-12(2)20-16(23)9-22-14(5)7-21(8-15(22)6)10-17(18,19)11-24-13(3)4/h12-15H,7-11H2,1-6H3,(H,20,23).
What are the key properties of 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 349.47 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170529693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).