1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone

C19H25N3O2S — CID 46677149

IUPAC1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C19H25N3O2S/c1-3-15-7-4-5-11-21(15)18(23)14-25-19-20-10-12-22(19)16-8-6-9-17(13-16)24-2/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3
InChIKeyYZOSSRBUCQPGQZ-UHFFFAOYSA-N
MW359.50 g/mol
LogP3.76
Rot. Bonds6

About 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone

1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 46677149) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID46677149
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone
SMILESCCC1CCCCN1C(=O)CSc1nccn1-c1cccc(OC)c1
InChIInChI=1S/C19H25N3O2S/c1-3-15-7-4-5-11-21(15)18(23)14-25-19-20-10-12-22(19)16-8-6-9-17(13-16)24-2/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3
InChIKeyYZOSSRBUCQPGQZ-UHFFFAOYSA-N
XLogP3.76
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpiperidin-1-yl)-2-[[4-(3-methoxyphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 3214620
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 43033070
N-(dicyclopropylmethyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylacetamide
CID 32674724
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 46700042
1-(2-ethylpiperidin-1-yl)-2-[1-(4-methoxyphenyl)benzimidazol-2-yl]sulfanylethanone
CID 4303296
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-8-methoxy-3,5-dimethylpyrimido[5,4-b]indol-4-one
CID 50834492
N-carbamoyl-3-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 18277389
2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 18161587
N-cyclohexyl-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51270186
2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanyl-3-(4-methoxyphenyl)quinazolin-4-one
CID 112776813
1-[(2S)-2-ethylpiperidin-1-yl]-2-pyridin-2-ylsulfanylethanone
CID 51916299
N-[3-(2-ethylpiperidin-1-yl)-3-oxopropyl]-N-(3-methoxyphenyl)acetamide
CID 113128945

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone (CID 46677149) is 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone is CCC1CCCCN1C(=O)CSc1nccn1-c1cccc(OC)c1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is YZOSSRBUCQPGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-3-15-7-4-5-11-21(15)18(23)14-25-19-20-10-12-22(19)16-8-6-9-17(13-16)24-2/h6,8-10,12-13,15H,3-5,7,11,14H2,1-2H3.
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone?
1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 359.50 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 46677149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).