2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

C16H27F3N4O2 — CID 120811989

IUPAC2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCCCCCC1=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H27F3N4O2/c17-16(18,19)13(22-9-6-20-7-10-22)11-21-14(24)12-23-8-4-2-1-3-5-15(23)25/h13,20H,1-12H2,(H,21,24)
InChIKeyJZJNAAISAMUWDX-UHFFFAOYSA-N
MW364.41 g/mol
LogP0.73
Rot. Bonds5

About 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide

2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (PubChem CID 120811989) has the molecular formula C16H27F3N4O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
PubChem CID120811989
Molecular FormulaC16H27F3N4O2
Molecular Weight364.41 g/mol
Exact Mass364.21
IUPAC Name2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
SMILESO=C(CN1CCCCCCC1=O)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C16H27F3N4O2/c17-16(18,19)13(22-9-6-20-7-10-22)11-21-14(24)12-23-8-4-2-1-3-5-15(23)25/h13,20H,1-12H2,(H,21,24)
InChIKeyJZJNAAISAMUWDX-UHFFFAOYSA-N
XLogP0.73
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120811988
2-(2-oxo-1,3-thiazolidin-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120812587
2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-hydroxypropyl)acetamide
CID 103726264
2-(3-methyl-2,4,5-trioxoimidazolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811087
2-cyclopentyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120813092
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811155
3-methyl-2-(2-oxopyrrolidin-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)butanamide;hydrochloride
CID 120813668
2-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811531
3-methylsulfanyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide
CID 120813821
2-(4-chlorophenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide
CID 120811781
2-(4-acetylphenyl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120812420
2-propylsulfonyl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide;hydrochloride
CID 120810714

Frequently Asked Questions

What is the IUPAC name of 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The IUPAC name of 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide (CID 120811989) is 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The canonical SMILES for 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is O=C(CN1CCCCCCC1=O)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
The InChIKey is JZJNAAISAMUWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3N4O2/c17-16(18,19)13(22-9-6-20-7-10-22)11-21-14(24)12-23-8-4-2-1-3-5-15(23)25/h13,20H,1-12H2,(H,21,24).
What are the key properties of 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide?
2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide has a molecular weight of 364.41 g/mol, XLogP of 0.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-oxoazocan-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)acetamide is sourced from PubChem (CID 120811989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).