1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one

C15H25N3OS — CID 47138666

IUPAC1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
SMILESCCn1ccnc1SC(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3OS/c1-5-17-7-6-16-15(17)20-13(4)14(19)18-9-11(2)8-12(3)10-18/h6-7,11-13H,5,8-10H2,1-4H3
InChIKeyNNXQAYGVBSFQRI-UHFFFAOYSA-N
MW295.45 g/mol
LogP2.89
Rot. Bonds4

About 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one

1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one (PubChem CID 47138666) has the molecular formula C15H25N3OS and a molecular weight of 295.45 g/mol. Its IUPAC name is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
PubChem CID47138666
Molecular FormulaC15H25N3OS
Molecular Weight295.45 g/mol
Exact Mass295.17
IUPAC Name1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
SMILESCCn1ccnc1SC(C)C(=O)N1CC(C)CC(C)C1
InChIInChI=1S/C15H25N3OS/c1-5-17-7-6-16-15(17)20-13(4)14(19)18-9-11(2)8-12(3)10-18/h6-7,11-13H,5,8-10H2,1-4H3
InChIKeyNNXQAYGVBSFQRI-UHFFFAOYSA-N
XLogP2.89
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-(1-methylimidazol-2-yl)sulfanylpropan-1-one
CID 39074298
1-[2-(1-ethylimidazol-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 47137409
1-ethyl-2-propan-2-ylsulfanylimidazole
CID 117189957
(2R)-2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 8827755
N-[4-[1-(3,5-dimethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanylphenyl]acetamide
CID 42974876
1-(3,4-dimethoxyphenyl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 51099617
(2S)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]propan-1-one
CID 7971296
(2R)-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 41424818
1-(3,5-dimethylpiperidin-1-yl)-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 112779825
2-[[4-amino-5-[(4-fluorophenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-1-(3,5-dimethylpiperidin-1-yl)propan-1-one
CID 43034105
(2S)-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 41434180
1-(4-acetyl-3,5-dimethyl-1H-pyrrol-2-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one
CID 46695728

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one (CID 47138666) is 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one is CCn1ccnc1SC(C)C(=O)N1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one?
The InChIKey is NNXQAYGVBSFQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3OS/c1-5-17-7-6-16-15(17)20-13(4)14(19)18-9-11(2)8-12(3)10-18/h6-7,11-13H,5,8-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one?
1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one has a molecular weight of 295.45 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylpiperidin-1-yl)-2-(1-ethylimidazol-2-yl)sulfanylpropan-1-one is sourced from PubChem (CID 47138666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).