1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone

C14H24F3N3O — CID 115709475

IUPAC1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
SMILESO=C(CNC1CCN(CC(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)11-19-8-4-12(5-9-19)18-10-13(21)20-6-2-1-3-7-20/h12,18H,1-11H2
InChIKeyKGZHEYDTFOQTJF-UHFFFAOYSA-N
MW307.36 g/mol
LogP1.62
Rot. Bonds4

About 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone

1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone (PubChem CID 115709475) has the molecular formula C14H24F3N3O and a molecular weight of 307.36 g/mol. Its IUPAC name is 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone.

Molecular Properties

Compound Name1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
PubChem CID115709475
Molecular FormulaC14H24F3N3O
Molecular Weight307.36 g/mol
Exact Mass307.19
IUPAC Name1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone
SMILESO=C(CNC1CCN(CC(F)(F)F)CC1)N1CCCCC1
InChIInChI=1S/C14H24F3N3O/c15-14(16,17)11-19-8-4-12(5-9-19)18-10-13(21)20-6-2-1-3-7-20/h12,18H,1-11H2
InChIKeyKGZHEYDTFOQTJF-UHFFFAOYSA-N
XLogP1.62
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone with MolForge

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Related Compounds

1-piperidin-1-yl-2-[(1-propylpiperidin-4-yl)amino]ethanone
CID 60695761
4-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]piperidine-1-carboxamide
CID 113352679
1-(azepan-1-yl)-2-(oxan-4-ylamino)ethanone
CID 43610166
1-(azepan-1-yl)-2-[(1,1-dioxothian-4-yl)amino]ethanone
CID 43615246
N-ethyl-N-methyl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]acetamide
CID 104926671
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434516
4-[[2-(azetidin-1-yl)-2-oxoethyl]amino]cyclohexane-1-carboxylic acid
CID 60809874
2-[(1-methylpyrrolidin-3-yl)amino]-1-pyrrolidin-1-ylethanone
CID 61462383
1-piperidin-1-yl-2-(2,2,2-trifluoroethylamino)ethanone
CID 28596000
2-(methylamino)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone
CID 61260523
N-prop-2-ynyl-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 43755345

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone?
The IUPAC name of 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone (CID 115709475) is 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone.
What is the SMILES notation for 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone?
The canonical SMILES for 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone is O=C(CNC1CCN(CC(F)(F)F)CC1)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone?
The InChIKey is KGZHEYDTFOQTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3N3O/c15-14(16,17)11-19-8-4-12(5-9-19)18-10-13(21)20-6-2-1-3-7-20/h12,18H,1-11H2.
What are the key properties of 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone?
1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone has a molecular weight of 307.36 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-yl-2-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]ethanone is sourced from PubChem (CID 115709475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).