3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one

C16H28N4O2 — CID 122546725

IUPAC3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
SMILESCCN(C)C1CCN(C(=O)CC(O)c2nccn2CC)CC1
InChIInChI=1S/C16H28N4O2/c1-4-18(3)13-6-9-20(10-7-13)15(22)12-14(21)16-17-8-11-19(16)5-2/h8,11,13-14,21H,4-7,9-10,12H2,1-3H3
InChIKeyUEXCRQUZKFIVHG-UHFFFAOYSA-N
MW308.43 g/mol
LogP1.27
Rot. Bonds6

About 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one

3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 122546725) has the molecular formula C16H28N4O2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID122546725
Molecular FormulaC16H28N4O2
Molecular Weight308.43 g/mol
Exact Mass308.22
IUPAC Name3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
SMILESCCN(C)C1CCN(C(=O)CC(O)c2nccn2CC)CC1
InChIInChI=1S/C16H28N4O2/c1-4-18(3)13-6-9-20(10-7-13)15(22)12-14(21)16-17-8-11-19(16)5-2/h8,11,13-14,21H,4-7,9-10,12H2,1-3H3
InChIKeyUEXCRQUZKFIVHG-UHFFFAOYSA-N
XLogP1.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 163695016
1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-(1-methylimidazol-2-yl)propane-1,3-dione
CID 122546761
1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
CID 166812056
[3-[(3R)-3-(dimethylamino)piperidin-1-yl]-1-(1-ethylimidazol-2-yl)-3-oxopropyl] acetate
CID 134316799
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
CID 166812071
(3S)-3-hydroxy-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 139544034
3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163606063
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-3-pyridin-4-ylpropan-1-one
CID 72850820
3-[5-chloro-1-(3-hydroxypropyl)imidazol-2-yl]-1-[4-(diethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163720875
1-cyclopropyl-2-(1-ethylimidazol-2-yl)ethane-1,2-diol
CID 103456993
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
1-[4-(1-ethylimidazol-2-yl)piperidin-1-yl]-2-thiophen-2-ylethanone
CID 72931119

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one (CID 122546725) is 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one is CCN(C)C1CCN(C(=O)CC(O)c2nccn2CC)CC1.
What is the InChIKey of 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is UEXCRQUZKFIVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O2/c1-4-18(3)13-6-9-20(10-7-13)15(22)12-14(21)16-17-8-11-19(16)5-2/h8,11,13-14,21H,4-7,9-10,12H2,1-3H3.
What are the key properties of 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one?
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 308.43 g/mol, XLogP of 1.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 122546725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).