1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one

C15H25FN4O2 — CID 122546712

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one
SMILESCN(C)C1CCN(C(=O)CC(O)c2nccn2CCF)CC1
InChIInChI=1S/C15H25FN4O2/c1-18(2)12-3-7-19(8-4-12)14(22)11-13(21)15-17-6-10-20(15)9-5-16/h6,10,12-13,21H,3-5,7-9,11H2,1-2H3
InChIKeyNHQFZTZCOBBDQA-UHFFFAOYSA-N
MW312.39 g/mol
LogP0.83
Rot. Bonds6

About 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one

1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one (PubChem CID 122546712) has the molecular formula C15H25FN4O2 and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one
PubChem CID122546712
Molecular FormulaC15H25FN4O2
Molecular Weight312.39 g/mol
Exact Mass312.20
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one
SMILESCN(C)C1CCN(C(=O)CC(O)c2nccn2CCF)CC1
InChIInChI=1S/C15H25FN4O2/c1-18(2)12-3-7-19(8-4-12)14(22)11-13(21)15-17-6-10-20(15)9-5-16/h6,10,12-13,21H,3-5,7-9,11H2,1-2H3
InChIKeyNHQFZTZCOBBDQA-UHFFFAOYSA-N
XLogP0.83
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2-ethyl-1H-imidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53623121
1-[4-(Dimethylamino)-1-piperidinyl]-3-(1-methyl-1H-imidazol-2-yl)-1-propanone
CID 71738795
1-(4-(Dimethylamino)piperidin-1-yl)-3-hydroxy-3-(1-methyl-1H-imidazol-2-yl)propan-1-one, (S)-
CID 122546756
1-[3-(2-Methylimidazol-1-yl)piperidin-1-yl]-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 53618996
{1-[(1-isopropyl-4-piperidinyl)carbonyl]-4-piperidinyl}(1-methyl-1H-imidazol-2-yl)methanol
CID 72881062
1-(4-Acetylpiperazin-1-yl)-4,4,4-trifluoro-3-hydroxy-3-(1-methylimidazol-2-yl)butan-1-one
CID 47020023
(2R)-1-[4-(1-isopropyl-1H-imidazol-2-yl)-1-piperidinyl]-1-oxo-2-propanol
CID 72890666
1-[4-(Dimethylamino)piperidin-1-yl]-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 71766838
1-[4-(Dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one
CID 71766980
N-methyl-N-[1-[3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propanoyl]piperidin-4-yl]acetamide
CID 117984773
1-[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 122546687
(3S)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxy-3-[1-(2,2,2-trifluoroethyl)imidazol-2-yl]propan-1-one
CID 122546688

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one (CID 122546712) is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one is CN(C)C1CCN(C(=O)CC(O)c2nccn2CCF)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one?
The InChIKey is NHQFZTZCOBBDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O2/c1-18(2)12-3-7-19(8-4-12)14(22)11-13(21)15-17-6-10-20(15)9-5-16/h6,10,12-13,21H,3-5,7-9,11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one has a molecular weight of 312.39 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 122546712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).