3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one

C16H27ClN4O2 — CID 163606063

IUPAC3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)n1c(Cl)cnc1C(O)CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H27ClN4O2/c1-11(2)21-14(17)10-18-16(21)13(22)9-15(23)20-7-5-12(6-8-20)19(3)4/h10-13,22H,5-9H2,1-4H3
InChIKeyHBWVVOMYIWTQHT-UHFFFAOYSA-N
MW342.87 g/mol
LogP2.09
Rot. Bonds5

About 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one

3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one (PubChem CID 163606063) has the molecular formula C16H27ClN4O2 and a molecular weight of 342.87 g/mol. Its IUPAC name is 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one.

Molecular Properties

Compound Name3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
PubChem CID163606063
Molecular FormulaC16H27ClN4O2
Molecular Weight342.87 g/mol
Exact Mass342.18
IUPAC Name3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one
SMILESCC(C)n1c(Cl)cnc1C(O)CC(=O)N1CCC(N(C)C)CC1
InChIInChI=1S/C16H27ClN4O2/c1-11(2)21-14(17)10-18-16(21)13(22)9-15(23)20-7-5-12(6-8-20)19(3)4/h10-13,22H,5-9H2,1-4H3
InChIKeyHBWVVOMYIWTQHT-UHFFFAOYSA-N
XLogP2.09
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-chloro-1-methylimidazol-2-yl)-1-[3-(dimethylamino)pyrrolidin-1-yl]-3-hydroxypropan-1-one
CID 155772650
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-(1,5-dimethylimidazol-2-yl)-3-hydroxypropan-1-one
CID 166812056
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(1-propan-2-ylimidazol-2-yl)propan-1-one
CID 163695016
1-[4-(diethylamino)piperidin-1-yl]-3-hydroxy-3-(5-methyl-1-propylimidazol-2-yl)propan-1-one
CID 166812071
3-(1-ethylimidazol-2-yl)-1-[4-[ethyl(methyl)amino]piperidin-1-yl]-3-hydroxypropan-1-one
CID 122546725
(E)-3-(5-chloro-1-methylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]prop-2-en-1-one
CID 71766986
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-[4-(dimethylamino)piperidin-1-yl]methanone
CID 56821641
tris(1-[4-(dimethylamino)piperidin-1-yl]butane-1,3-dione);iron(3+)
CID 53467781
3-(aminomethyl)-1-[4-(dimethylamino)piperidin-1-yl]pentan-1-one
CID 81071625
1-[4-(dimethylamino)piperidin-1-yl]-2-[[2-[4-(dimethylamino)piperidin-1-yl]-2-oxoethyl]-methylamino]ethanone
CID 144771309
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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one?
The IUPAC name of 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one (CID 163606063) is 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one.
What is the SMILES notation for 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one?
The canonical SMILES for 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one is CC(C)n1c(Cl)cnc1C(O)CC(=O)N1CCC(N(C)C)CC1.
What is the InChIKey of 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one?
The InChIKey is HBWVVOMYIWTQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27ClN4O2/c1-11(2)21-14(17)10-18-16(21)13(22)9-15(23)20-7-5-12(6-8-20)19(3)4/h10-13,22H,5-9H2,1-4H3.
What are the key properties of 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one?
3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one has a molecular weight of 342.87 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-1-propan-2-ylimidazol-2-yl)-1-[4-(dimethylamino)piperidin-1-yl]-3-hydroxypropan-1-one is sourced from PubChem (CID 163606063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).