2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

C13H17F6N3O2 — CID 18449289

IUPAC2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESC=CCN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H17F6N3O2/c1-2-5-22-6-3-11(4-7-22,21-10(24)13(17,18)19)8-20-9(23)12(14,15)16/h2H,1,3-8H2,(H,20,23)(H,21,24)
InChIKeyAMDKVJQSEBXIEJ-UHFFFAOYSA-N
MW361.29 g/mol
LogP1.36
Rot. Bonds5

About 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide

2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (PubChem CID 18449289) has the molecular formula C13H17F6N3O2 and a molecular weight of 361.29 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
PubChem CID18449289
Molecular FormulaC13H17F6N3O2
Molecular Weight361.29 g/mol
Exact Mass361.12
IUPAC Name2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
SMILESC=CCN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1
InChIInChI=1S/C13H17F6N3O2/c1-2-5-22-6-3-11(4-7-22,21-10(24)13(17,18)19)8-20-9(23)12(14,15)16/h2H,1,3-8H2,(H,20,23)(H,21,24)
InChIKeyAMDKVJQSEBXIEJ-UHFFFAOYSA-N
XLogP1.36
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.29
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-[[1-(2-methylpropyl)-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449261
2,2,2-trifluoro-N-[[1-methyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449262
2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 18449279
ethane;2,2,2-trifluoro-N-[[4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide
CID 143665799
2-(Prop-2-enylamino)-1-[4-(trifluoromethyl)piperidin-1-yl]ethanone
CID 79278243
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 115305402
2-[4-methyl-4-(methylamino)piperidin-1-yl]-N-prop-2-enylacetamide
CID 115305403

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide (CID 18449289) is 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is C=CCN1CCC(CNC(=O)C(F)(F)F)(NC(=O)C(F)(F)F)CC1.
What is the InChIKey of 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
The InChIKey is AMDKVJQSEBXIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F6N3O2/c1-2-5-22-6-3-11(4-7-22,21-10(24)13(17,18)19)8-20-9(23)12(14,15)16/h2H,1,3-8H2,(H,20,23)(H,21,24).
What are the key properties of 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide?
2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide has a molecular weight of 361.29 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[[1-prop-2-enyl-4-[(2,2,2-trifluoroacetyl)amino]piperidin-4-yl]methyl]acetamide is sourced from PubChem (CID 18449289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).