1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one

C17H30N4O2 — CID 166812056

IUPAC1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)CC(O)c2ncc(C)n2C)CC1
InChIInChI=1S/C17H30N4O2/c1-5-20(6-2)14-7-9-21(10-8-14)16(23)11-15(22)17-18-12-13(3)19(17)4/h12,14-15,22H,5-11H2,1-4H3
InChIKeyOQQOSPXLNYRYCZ-UHFFFAOYSA-N
MW322.45 g/mol
LogP1.48
Rot. Bonds6

About 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one

1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one (PubChem CID 166812056) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
PubChem CID166812056
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
SMILESCCN(CC)C1CCN(C(=O)CC(O)c2ncc(C)n2C)CC1
InChIInChI=1S/C17H30N4O2/c1-5-20(6-2)14-7-9-21(10-8-14)16(23)11-15(22)17-18-12-13(3)19(17)4/h12,14-15,22H,5-11H2,1-4H3
InChIKeyOQQOSPXLNYRYCZ-UHFFFAOYSA-N
XLogP1.48
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one 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

1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
CID 166812071
3-[5-chloro-1-(3-hydroxypropyl)imidazol-2-yl]-1-[4-(diethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163720875
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 163695016
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
CID 163606063
1-[4-(diethylamino)piperidin-1-yl]-3-(ethylamino)butan-1-one
CID 62837981
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
(2-amino-4-methylpyrimidin-5-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 95851494
(5-chloropyrazin-2-yl)-[4-(diethylamino)piperidin-1-yl]methanone
CID 107257837
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
(3S)-3-hydroxy-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 139544034

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one (CID 166812056) is 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one is CCN(CC)C1CCN(C(=O)CC(O)c2ncc(C)n2C)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one?
The InChIKey is OQQOSPXLNYRYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-5-20(6-2)14-7-9-21(10-8-14)16(23)11-15(22)17-18-12-13(3)19(17)4/h12,14-15,22H,5-11H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one?
1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one has a molecular weight of 322.45 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one is sourced from PubChem (CID 166812056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).