[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

C17H30F3N3O2 — CID 174404515

IUPAC[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C17H30F3N3O2/c1-3-21(14(2)12-17(18,19)20)13-15-4-6-22(7-5-15)16(24)23-8-10-25-11-9-23/h14-15H,3-13H2,1-2H3
InChIKeyHUQULALCZSAVSY-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.81
Rot. Bonds5

About [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone

[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 174404515) has the molecular formula C17H30F3N3O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID174404515
Molecular FormulaC17H30F3N3O2
Molecular Weight365.44 g/mol
Exact Mass365.23
IUPAC Name[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C17H30F3N3O2/c1-3-21(14(2)12-17(18,19)20)13-15-4-6-22(7-5-15)16(24)23-8-10-25-11-9-23/h14-15H,3-13H2,1-2H3
InChIKeyHUQULALCZSAVSY-UHFFFAOYSA-N
XLogP2.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 174404515) is [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is CCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F.
What is the InChIKey of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is HUQULALCZSAVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30F3N3O2/c1-3-21(14(2)12-17(18,19)20)13-15-4-6-22(7-5-15)16(24)23-8-10-25-11-9-23/h14-15H,3-13H2,1-2H3.
What are the key properties of [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 365.44 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[ethyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 174404515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).