3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one

C15H23F3N4O2 — CID 154967396

IUPAC3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one
SMILESCNC1CCN(C(=O)CC(O)c2nccn2CCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O2/c1-19-11-2-6-21(7-3-11)13(24)10-12(23)14-20-5-9-22(14)8-4-15(16,17)18/h5,9,11-12,19,23H,2-4,6-8,10H2,1H3
InChIKeyAZMQNGIUVYBEOT-UHFFFAOYSA-N
MW348.37 g/mol
LogP1.47
Rot. Bonds6

About 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one

3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one (PubChem CID 154967396) has the molecular formula C15H23F3N4O2 and a molecular weight of 348.37 g/mol. Its IUPAC name is 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one
PubChem CID154967396
Molecular FormulaC15H23F3N4O2
Molecular Weight348.37 g/mol
Exact Mass348.18
IUPAC Name3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one
SMILESCNC1CCN(C(=O)CC(O)c2nccn2CCC(F)(F)F)CC1
InChIInChI=1S/C15H23F3N4O2/c1-19-11-2-6-21(7-3-11)13(24)10-12(23)14-20-5-9-22(14)8-4-15(16,17)18/h5,9,11-12,19,23H,2-4,6-8,10H2,1H3
InChIKeyAZMQNGIUVYBEOT-UHFFFAOYSA-N
XLogP1.47
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-(Dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one, (S)-
CID 122546756
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CID 45805355
1-(4-Acetylpiperazin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butan-1-one
CID 47020023
2,2-difluoro-N-(2-{4-[(1-isopropyl-1H-imidazol-2-yl)methyl]morpholin-2-yl}ethyl)acetamide
CID 56739423
2-[3-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
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N-[2-(2-ethyl-1H-imidazol-1-yl)ethyl]-2-(3-hydroxypiperidin-1-yl)acetamide
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3-(2,2-difluoroethoxy)-N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxan-3-yl]propanamide
CID 164635533
1-[4-(Methylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 117984717
1-(4-Aminopiperidin-1-yl)-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 117984722
3-[1-(2,2-Difluoroethyl)imidazol-2-yl]-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 117984726
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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one (CID 154967396) is 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one is CNC1CCN(C(=O)CC(O)c2nccn2CCC(F)(F)F)CC1.
What is the InChIKey of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one?
The InChIKey is AZMQNGIUVYBEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F3N4O2/c1-19-11-2-6-21(7-3-11)13(24)10-12(23)14-20-5-9-22(14)8-4-15(16,17)18/h5,9,11-12,19,23H,2-4,6-8,10H2,1H3.
What are the key properties of 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one?
3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one has a molecular weight of 348.37 g/mol, XLogP of 1.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[4-(methylamino)piperidin-1-yl]-3-[1-(3,3,3-trifluoropropyl)imidazol-2-yl]propan-1-one is sourced from PubChem (CID 154967396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).