4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

C18H27F3N4O3 — CID 55845240

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCn1ccnc1C(O)(CC(=O)N1CCC(CN2CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H27F3N4O3/c1-23-7-4-22-16(23)17(27,18(19,20)21)12-15(26)25-5-2-14(3-6-25)13-24-8-10-28-11-9-24/h4,7,14,27H,2-3,5-6,8-13H2,1H3
InChIKeyCWLYNOQTOZITTC-UHFFFAOYSA-N
MW404.43 g/mol
LogP1.13
Rot. Bonds5

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (PubChem CID 55845240) has the molecular formula C18H27F3N4O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
PubChem CID55845240
Molecular FormulaC18H27F3N4O3
Molecular Weight404.43 g/mol
Exact Mass404.20
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
SMILESCn1ccnc1C(O)(CC(=O)N1CCC(CN2CCOCC2)CC1)C(F)(F)F
InChIInChI=1S/C18H27F3N4O3/c1-23-7-4-22-16(23)17(27,18(19,20)21)12-15(26)25-5-2-14(3-6-25)13-24-8-10-28-11-9-24/h4,7,14,27H,2-3,5-6,8-13H2,1H3
InChIKeyCWLYNOQTOZITTC-UHFFFAOYSA-N
XLogP1.13
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one (CID 55845240) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is Cn1ccnc1C(O)(CC(=O)N1CCC(CN2CCOCC2)CC1)C(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
The InChIKey is CWLYNOQTOZITTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27F3N4O3/c1-23-7-4-22-16(23)17(27,18(19,20)21)12-15(26)25-5-2-14(3-6-25)13-24-8-10-28-11-9-24/h4,7,14,27H,2-3,5-6,8-13H2,1H3.
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one has a molecular weight of 404.43 g/mol, XLogP of 1.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one is sourced from PubChem (CID 55845240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).