1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one

C18H32N4O2 — CID 163695016

IUPAC1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CC(O)c2nccn2C(C)C)CC1
InChIInChI=1S/C18H32N4O2/c1-5-20(6-2)15-7-10-21(11-8-15)17(24)13-16(23)18-19-9-12-22(18)14(3)4/h9,12,14-16,23H,5-8,10-11,13H2,1-4H3
InChIKeyJWFJNBIFLLSFJL-UHFFFAOYSA-N
MW336.48 g/mol
LogP2.22
Rot. Bonds7

About 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one

1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one (PubChem CID 163695016) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
PubChem CID163695016
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
SMILESCCN(CC)C1CCN(C(=O)CC(O)c2nccn2C(C)C)CC1
InChIInChI=1S/C18H32N4O2/c1-5-20(6-2)15-7-10-21(11-8-15)17(24)13-16(23)18-19-9-12-22(18)14(3)4/h9,12,14-16,23H,5-8,10-11,13H2,1-4H3
InChIKeyJWFJNBIFLLSFJL-UHFFFAOYSA-N
XLogP2.22
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one with MolForge

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Related Compounds

3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
CID 166812056
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
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
(3S)-3-hydroxy-1-[(3S)-3-(methylamino)pyrrolidin-1-yl]-3-(1-methylimidazol-2-yl)propan-1-one
CID 139544034
2-[2-[3-[4-(diethylamino)piperidin-1-yl]-3-oxopropyl]imidazol-1-yl]acetic acid;hydrochloride
CID 121452447
3-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
3-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
1-[4-[(2-propan-2-ylimidazol-1-yl)methyl]piperidin-1-yl]butan-1-one
CID 90492830

Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one (CID 163695016) is 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one is CCN(CC)C1CCN(C(=O)CC(O)c2nccn2C(C)C)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
The InChIKey is JWFJNBIFLLSFJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-5-20(6-2)15-7-10-21(11-8-15)17(24)13-16(23)18-19-9-12-22(18)14(3)4/h9,12,14-16,23H,5-8,10-11,13H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one?
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one has a molecular weight of 336.48 g/mol, XLogP of 2.22, 7 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-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 163695016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).