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

C15H29F2N3O2 — CID 175626370

IUPAC2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(F)(F)CN1CC(C)N(CC(=O)NC(C)C)C(C)C1
InChIInChI=1S/C15H29F2N3O2/c1-11(2)18-14(21)8-20-12(3)6-19(7-13(20)4)9-15(16,17)10-22-5/h11-13H,6-10H2,1-5H3,(H,18,21)
InChIKeyNNRDVQZWFBZTHR-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.19
Rot. Bonds7

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

2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (PubChem CID 175626370) has the molecular formula C15H29F2N3O2 and a molecular weight of 321.41 g/mol. Its IUPAC name is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
PubChem CID175626370
Molecular FormulaC15H29F2N3O2
Molecular Weight321.41 g/mol
Exact Mass321.22
IUPAC Name2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide
SMILESCOCC(F)(F)CN1CC(C)N(CC(=O)NC(C)C)C(C)C1
InChIInChI=1S/C15H29F2N3O2/c1-11(2)18-14(21)8-20-12(3)6-19(7-13(20)4)9-15(16,17)10-22-5/h11-13H,6-10H2,1-5H3,(H,18,21)
InChIKeyNNRDVQZWFBZTHR-UHFFFAOYSA-N
XLogP1.19
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The IUPAC name of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide (CID 175626370) is 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is COCC(F)(F)CN1CC(C)N(CC(=O)NC(C)C)C(C)C1.
What is the InChIKey of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
The InChIKey is NNRDVQZWFBZTHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F2N3O2/c1-11(2)18-14(21)8-20-12(3)6-19(7-13(20)4)9-15(16,17)10-22-5/h11-13H,6-10H2,1-5H3,(H,18,21).
What are the key properties of 2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide?
2-[4-(2,2-difluoro-3-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide has a molecular weight of 321.41 g/mol, XLogP of 1.19, 7 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-methoxypropyl)-2,6-dimethylpiperazin-1-yl]-N-propan-2-ylacetamide is sourced from PubChem (CID 175626370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).