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

C15H25FN4O — CID 71766980

IUPAC1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CCF)CC1
InChIInChI=1S/C15H25FN4O/c1-18(2)13-5-9-20(10-6-13)15(21)4-3-14-17-8-12-19(14)11-7-16/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyXLUXNKDWPLEJLT-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.34
Rot. Bonds6

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

1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one (PubChem CID 71766980) has the molecular formula C15H25FN4O and a molecular weight of 296.39 g/mol. Its IUPAC name is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one
PubChem CID71766980
Molecular FormulaC15H25FN4O
Molecular Weight296.39 g/mol
Exact Mass296.20
IUPAC Name1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one
SMILESCN(C)C1CCN(C(=O)CCc2nccn2CCF)CC1
InChIInChI=1S/C15H25FN4O/c1-18(2)13-5-9-20(10-6-13)15(21)4-3-14-17-8-12-19(14)11-7-16/h8,12-13H,3-7,9-11H2,1-2H3
InChIKeyXLUXNKDWPLEJLT-UHFFFAOYSA-N
XLogP1.34
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-Ethylpiperidin-1-yl)-3-imidazol-1-ylpropan-1-one
CID 4876352
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
Pyrrolidin-1-yl-[1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidin-2-yl]methanone
CID 53553936
1-(Azepan-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53554684
1-(Azepan-1-yl)-2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53557751
2-[4-[(1-Ethylimidazol-2-yl)methyl]piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 53559979
2-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 53561071
N-cyclohexyl-3-[4-[(1-ethylimidazol-2-yl)methyl]piperazin-1-yl]propanamide
CID 53564845
1-(4-Ethylpiperazin-1-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]propan-1-one
CID 53566133
2-Methyl-6-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-4,5-dihydropyridazin-3-one
CID 53609600

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one (CID 71766980) is 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one is CN(C)C1CCN(C(=O)CCc2nccn2CCF)CC1.
What is the InChIKey of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one?
The InChIKey is XLUXNKDWPLEJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25FN4O/c1-18(2)13-5-9-20(10-6-13)15(21)4-3-14-17-8-12-19(14)11-7-16/h8,12-13H,3-7,9-11H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one?
1-[4-(dimethylamino)piperidin-1-yl]-3-[1-(2-fluoroethyl)imidazol-2-yl]propan-1-one has a molecular weight of 296.39 g/mol, XLogP of 1.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 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]propan-1-one is sourced from PubChem (CID 71766980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).