N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

C12H20F3N3O3 — CID 78958326

IUPACN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(=O)N1CCC(NC(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c1-21-7-11(20)18-4-2-9(3-5-18)17-10(19)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyWQTLKASDLUHHOE-UHFFFAOYSA-N
MW311.30 g/mol
LogP-0.11
Rot. Bonds6

About N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide

N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (PubChem CID 78958326) has the molecular formula C12H20F3N3O3 and a molecular weight of 311.30 g/mol. Its IUPAC name is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.

Molecular Properties

Compound NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
PubChem CID78958326
Molecular FormulaC12H20F3N3O3
Molecular Weight311.30 g/mol
Exact Mass311.15
IUPAC NameN-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide
SMILESCOCC(=O)N1CCC(NC(=O)CNCC(F)(F)F)CC1
InChIInChI=1S/C12H20F3N3O3/c1-21-7-11(20)18-4-2-9(3-5-18)17-10(19)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19)
InChIKeyWQTLKASDLUHHOE-UHFFFAOYSA-N
XLogP-0.11
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.30
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[1-(2-methoxyacetyl)piperidin-4-yl]acetamide
CID 63681407
3-(ethylamino)-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 62833950
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-methylpropanamide
CID 61266193
4-[4-[(2-methoxyacetyl)amino]piperidin-1-yl]-4-oxobutanoic acid
CID 54875415
N-[1-(2-bromoacetyl)piperidin-4-yl]-2-methoxyacetamide
CID 63680285
5-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-3-methyl-5-oxopentanoic acid
CID 62963865
4-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]-3-methylbutanamide
CID 81076250
2-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]propanamide
CID 43711839
N-[1-[2-(azetidin-3-yl)acetyl]piperidin-4-yl]-2-methoxyacetamide
CID 64611592
1-amino-N-[1-(2-methoxyacetyl)piperidin-4-yl]cyclobutane-1-carboxamide
CID 81178645
N-[1-(4-aminobutanoyl)piperidin-4-yl]-2-methoxyacetamide
CID 54872286
1-[4-(2,2-dimethylpropylamino)piperidin-1-yl]-2-methoxyethanone
CID 61325359

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The IUPAC name of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide (CID 78958326) is N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide.
What is the SMILES notation for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The canonical SMILES for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is COCC(=O)N1CCC(NC(=O)CNCC(F)(F)F)CC1.
What is the InChIKey of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
The InChIKey is WQTLKASDLUHHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3N3O3/c1-21-7-11(20)18-4-2-9(3-5-18)17-10(19)6-16-8-12(13,14)15/h9,16H,2-8H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide?
N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide has a molecular weight of 311.30 g/mol, XLogP of -0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyacetyl)piperidin-4-yl]-2-(2,2,2-trifluoroethylamino)acetamide is sourced from PubChem (CID 78958326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).