1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one

C19H34N4O2 — CID 166812071

IUPAC1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1c(C)cnc1C(O)CC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N4O2/c1-5-10-23-15(4)14-20-19(23)17(24)13-18(25)22-11-8-16(9-12-22)21(6-2)7-3/h14,16-17,24H,5-13H2,1-4H3
InChIKeyCMCFNUAIXJAWND-UHFFFAOYSA-N
MW350.51 g/mol
LogP2.36
Rot. Bonds8

About 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one

1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one (PubChem CID 166812071) has the molecular formula C19H34N4O2 and a molecular weight of 350.51 g/mol. Its IUPAC name is 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
PubChem CID166812071
Molecular FormulaC19H34N4O2
Molecular Weight350.51 g/mol
Exact Mass350.27
IUPAC Name1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
SMILESCCCn1c(C)cnc1C(O)CC(=O)N1CCC(N(CC)CC)CC1
InChIInChI=1S/C19H34N4O2/c1-5-10-23-15(4)14-20-19(23)17(24)13-18(25)22-11-8-16(9-12-22)21(6-2)7-3/h14,16-17,24H,5-13H2,1-4H3
InChIKeyCMCFNUAIXJAWND-UHFFFAOYSA-N
XLogP2.36
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(diethylamino)piperidin-1-yl]-3-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
CID 166812056
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-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
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-(1-butylimidazol-2-yl)-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 139544025
(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-amino-1-[4-(diethylamino)piperidin-1-yl]propan-1-one
CID 60952932
(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-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one?
The IUPAC name of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one (CID 166812071) is 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one.
What is the SMILES notation for 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one?
The canonical SMILES for 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one is CCCn1c(C)cnc1C(O)CC(=O)N1CCC(N(CC)CC)CC1.
What is the InChIKey of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one?
The InChIKey is CMCFNUAIXJAWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O2/c1-5-10-23-15(4)14-20-19(23)17(24)13-18(25)22-11-8-16(9-12-22)21(6-2)7-3/h14,16-17,24H,5-13H2,1-4H3.
What are the key properties of 1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one?
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one has a molecular weight of 350.51 g/mol, XLogP of 2.36, 8 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-(5-methyl-1-propylimidazol-2-yl)propan-1-one is sourced from PubChem (CID 166812071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).