morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone

C18H32F3N3O2 — CID 174404518

IUPACmorpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C18H32F3N3O2/c1-3-6-24(15(2)13-18(19,20)21)14-16-4-7-22(8-5-16)17(25)23-9-11-26-12-10-23/h15-16H,3-14H2,1-2H3
InChIKeyIPBSLSVRFJOHMF-UHFFFAOYSA-N
MW379.47 g/mol
LogP3.20
Rot. Bonds6

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

morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone (PubChem CID 174404518) has the molecular formula C18H32F3N3O2 and a molecular weight of 379.47 g/mol. Its IUPAC name is morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone
PubChem CID174404518
Molecular FormulaC18H32F3N3O2
Molecular Weight379.47 g/mol
Exact Mass379.24
IUPAC Namemorpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone
SMILESCCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F
InChIInChI=1S/C18H32F3N3O2/c1-3-6-24(15(2)13-18(19,20)21)14-16-4-7-22(8-5-16)17(25)23-9-11-26-12-10-23/h15-16H,3-14H2,1-2H3
InChIKeyIPBSLSVRFJOHMF-UHFFFAOYSA-N
XLogP3.20
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.47
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The IUPAC name of morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone (CID 174404518) is morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The canonical SMILES for morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone is CCCN(CC1CCN(C(=O)N2CCOCC2)CC1)C(C)CC(F)(F)F.
What is the InChIKey of morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone?
The InChIKey is IPBSLSVRFJOHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32F3N3O2/c1-3-6-24(15(2)13-18(19,20)21)14-16-4-7-22(8-5-16)17(25)23-9-11-26-12-10-23/h15-16H,3-14H2,1-2H3.
What are the key properties of morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone?
morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone has a molecular weight of 379.47 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[4-[[propyl(4,4,4-trifluorobutan-2-yl)amino]methyl]piperidin-1-yl]methanone is sourced from PubChem (CID 174404518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).