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

C13H22F3N3O2 — CID 64850618

IUPAC1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESO=C(CN(CC(F)(F)F)C1CCNCC1)N1CCOCC1
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)10-19(11-1-3-17-4-2-11)9-12(20)18-5-7-21-8-6-18/h11,17H,1-10H2
InChIKeyJLZLPPHZWXVMNI-UHFFFAOYSA-N
MW309.33 g/mol
LogP0.46
Rot. Bonds4

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

1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone (PubChem CID 64850618) has the molecular formula C13H22F3N3O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
PubChem CID64850618
Molecular FormulaC13H22F3N3O2
Molecular Weight309.33 g/mol
Exact Mass309.17
IUPAC Name1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone
SMILESO=C(CN(CC(F)(F)F)C1CCNCC1)N1CCOCC1
InChIInChI=1S/C13H22F3N3O2/c14-13(15,16)10-19(11-1-3-17-4-2-11)9-12(20)18-5-7-21-8-6-18/h11,17H,1-10H2
InChIKeyJLZLPPHZWXVMNI-UHFFFAOYSA-N
XLogP0.46
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-acetylpiperazin-1-yl)-2-[cyclobutyl(2,2,2-trifluoroethyl)amino]ethanone
CID 75434558
2-[methyl(pyrrolidin-3-yl)amino]-1-morpholin-4-ylethanone
CID 63301630
N-carbamoyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850430
N-methyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64851792
2-[cyclopropyl(2-hydroxyethyl)amino]-1-morpholin-4-ylethanone
CID 60774443
2-[2-aminoethyl(cyclopropyl)amino]-1-morpholin-4-ylethanone
CID 61349753
3-[cyclopropyl-(2-morpholin-4-yl-2-oxoethyl)amino]propanoic acid
CID 60839193
2-[cyclobutyl(3,3,3-trifluoropropyl)amino]-1-piperidin-1-ylethanone
CID 71858831
N-cyclopentyl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850629
2-[[2-(azepan-1-yl)-2-oxoethyl]-piperidin-4-ylamino]acetamide
CID 60801064
2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]-N-propylacetamide
CID 64851985
N-pentan-3-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]acetamide
CID 64850427

Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone (CID 64850618) is 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone is O=C(CN(CC(F)(F)F)C1CCNCC1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone?
The InChIKey is JLZLPPHZWXVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O2/c14-13(15,16)10-19(11-1-3-17-4-2-11)9-12(20)18-5-7-21-8-6-18/h11,17H,1-10H2.
What are the key properties of 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone?
1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone has a molecular weight of 309.33 g/mol, XLogP of 0.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[piperidin-4-yl(2,2,2-trifluoroethyl)amino]ethanone is sourced from PubChem (CID 64850618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).