4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

C16H25F3N4O2 — CID 47092661

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N4O2/c1-22-8-4-12(5-9-22)3-6-20-13(24)11-15(25,16(17,18)19)14-21-7-10-23(14)2/h7,10,12,25H,3-6,8-9,11H2,1-2H3,(H,20,24)
InChIKeyUKHQLLCUOJLAET-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.41
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (PubChem CID 47092661) has the molecular formula C16H25F3N4O2 and a molecular weight of 362.40 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
PubChem CID47092661
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide
SMILESCN1CCC(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N4O2/c1-22-8-4-12(5-9-22)3-6-20-13(24)11-15(25,16(17,18)19)14-21-7-10-23(14)2/h7,10,12,25H,3-6,8-9,11H2,1-2H3,(H,20,24)
InChIKeyUKHQLLCUOJLAET-UHFFFAOYSA-N
XLogP1.41
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.40
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide (CID 47092661) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is CN1CCC(CCNC(=O)CC(O)(c2nccn2C)C(F)(F)F)CC1.
What is the InChIKey of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
The InChIKey is UKHQLLCUOJLAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-22-8-4-12(5-9-22)3-6-20-13(24)11-15(25,16(17,18)19)14-21-7-10-23(14)2/h7,10,12,25H,3-6,8-9,11H2,1-2H3,(H,20,24).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide has a molecular weight of 362.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-[2-(1-methylpiperidin-4-yl)ethyl]butanamide is sourced from PubChem (CID 47092661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).