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

C17H33F2N3O2 — CID 170374683

IUPAC2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1[C@H](C)CN(CC(F)(F)COC(C)C)C[C@@H]1C
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)/t14-,15+
InChIKeyAAMWYPMCPIAIDB-GASCZTMLSA-N
MW349.47 g/mol
LogP1.97
Rot. Bonds8

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

2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 170374683) has the molecular formula C17H33F2N3O2 and a molecular weight of 349.47 g/mol. Its IUPAC name is 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID170374683
Molecular FormulaC17H33F2N3O2
Molecular Weight349.47 g/mol
Exact Mass349.25
IUPAC Name2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN1[C@H](C)CN(CC(F)(F)COC(C)C)C[C@@H]1C
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)/t14-,15+
InChIKeyAAMWYPMCPIAIDB-GASCZTMLSA-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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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (CID 170374683) is 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is CC(C)NC(=O)CN1[C@H](C)CN(CC(F)(F)COC(C)C)C[C@@H]1C.
What is the InChIKey of 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is AAMWYPMCPIAIDB-GASCZTMLSA-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)/t14-,15+.
What are the key properties of 2-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
2-[(2R,6S)-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-[(2R,6S)-4-(2,2-difluoro-3-propan-2-yloxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 170374683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).