4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide

C16H25F3N4O2 — CID 134042892

IUPAC4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N4O2/c1-3-7-23-8-4-12(5-9-23)21-13(24)11-15(25,16(17,18)19)14-20-6-10-22(14)2/h6,10,12,25H,3-5,7-9,11H2,1-2H3,(H,21,24)
InChIKeyWGFHQEHJZBWNBU-UHFFFAOYSA-N
MW362.40 g/mol
LogP1.55
Rot. Bonds6

About 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide

4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide (PubChem CID 134042892) 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-(1-propylpiperidin-4-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide
PubChem CID134042892
Molecular FormulaC16H25F3N4O2
Molecular Weight362.40 g/mol
Exact Mass362.19
IUPAC Name4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide
SMILESCCCN1CCC(NC(=O)CC(O)(c2nccn2C)C(F)(F)F)CC1
InChIInChI=1S/C16H25F3N4O2/c1-3-7-23-8-4-12(5-9-23)21-13(24)11-15(25,16(17,18)19)14-20-6-10-22(14)2/h6,10,12,25H,3-5,7-9,11H2,1-2H3,(H,21,24)
InChIKeyWGFHQEHJZBWNBU-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[[(3R)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanoyl]amino]piperidine-1-carboxylate
CID 95143038
N-(3-ethylcyclohexyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111448127
1-ethyl-3-(1-propylpiperidin-4-yl)-2-[4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butyl]guanidine
CID 111020017
N-(1-cyclopropylethyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 134042884
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pentan-3-ylbutanamide
CID 134042880
4,4,4-trifluoro-3-hydroxy-N-[1-(2-methoxyphenyl)piperidin-3-yl]-3-(1-methylimidazol-2-yl)butanamide
CID 86966329
N-[2-cyclopropyl-2-(dimethylamino)ethyl]-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 110901705
(3R)-N-(4-ethylphenyl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 94018160
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-pyridin-2-ylbutanamide
CID 94798928
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 47020205
N-(5-ethyl-1,3-thiazol-2-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butanamide
CID 111471518
(3S)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(5-methyl-1,3-thiazol-2-yl)butanamide
CID 94018177

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide (CID 134042892) is 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide is CCCN1CCC(NC(=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-(1-propylpiperidin-4-yl)butanamide?
The InChIKey is WGFHQEHJZBWNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25F3N4O2/c1-3-7-23-8-4-12(5-9-23)21-13(24)11-15(25,16(17,18)19)14-20-6-10-22(14)2/h6,10,12,25H,3-5,7-9,11H2,1-2H3,(H,21,24).
What are the key properties of 4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide?
4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)-N-(1-propylpiperidin-4-yl)butanamide has a molecular weight of 362.40 g/mol, XLogP of 1.55, 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-(1-propylpiperidin-4-yl)butanamide is sourced from PubChem (CID 134042892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).