morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone

C12H20F3N3O2 — CID 164640198

IUPACmorpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC[C@H](NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)9-16-10-2-1-3-18(8-10)11(19)17-4-6-20-7-5-17/h10,16H,1-9H2/t10-/m0/s1
InChIKeyAJEBXLKTHJUROJ-JTQLQIEISA-N
MW295.31 g/mol
LogP1.05
Rot. Bonds2

About morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone

morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone (PubChem CID 164640198) has the molecular formula C12H20F3N3O2 and a molecular weight of 295.31 g/mol. Its IUPAC name is morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
PubChem CID164640198
Molecular FormulaC12H20F3N3O2
Molecular Weight295.31 g/mol
Exact Mass295.15
IUPAC Namemorpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone
SMILESO=C(N1CCOCC1)N1CCC[C@H](NCC(F)(F)F)C1
InChIInChI=1S/C12H20F3N3O2/c13-12(14,15)9-16-10-2-1-3-18(8-10)11(19)17-4-6-20-7-5-17/h10,16H,1-9H2/t10-/m0/s1
InChIKeyAJEBXLKTHJUROJ-JTQLQIEISA-N
XLogP1.05
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Urea, N-cyclohexyl-N'-[2-(4-morpholinyl)ethyl]-
CID 1086741
4,4-difluoro-N-(tetrahydro-2H-pyran-4-yl)piperidine-1-carboxamide
CID 121184665
1-(morpholine-4-carbonyl)-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 136574353
5-[(4,4-Difluoropiperidin-1-yl)methyl]morpholin-3-one
CID 25054156
[2-[(2,2,2-Trifluoroethylamino)methyl]piperidin-1-yl]methyl morpholine-4-carboxylate
CID 141217776
1-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-4-yl]imidazolidin-2-one
CID 53521564
N-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]morpholine-4-carboxamide
CID 60604758
1-[1-(2,2-Difluoroethyl)piperidin-4-yl]-3-(2-methoxyethyl)urea
CID 60605165
1-(3-Morpholin-4-ylpropyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]urea
CID 60606504
4-[2-(2,2,2-Trifluoroethoxy)ethylamino]piperidine-1-carboxamide
CID 63827119
1-Morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
CID 64850618
1-Piperidin-4-yl-3-[2-(2,2,2-trifluoroethoxy)ethyl]imidazolidin-2-one
CID 65999081

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone (CID 164640198) is morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone is O=C(N1CCOCC1)N1CCC[C@H](NCC(F)(F)F)C1.
What is the InChIKey of morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone?
The InChIKey is AJEBXLKTHJUROJ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20F3N3O2/c13-12(14,15)9-16-10-2-1-3-18(8-10)11(19)17-4-6-20-7-5-17/h10,16H,1-9H2/t10-/m0/s1.
What are the key properties of morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone?
morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone has a molecular weight of 295.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 164640198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).