1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one

C19H25N3OS — CID 46545523

IUPAC1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H25N3OS/c1-3-16-11-7-8-12-22(16)18(23)14(2)24-19-20-13-17(21-19)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,3,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeySOXFKDMZIAYACE-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.35
Rot. Bonds5

About 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one

1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one (PubChem CID 46545523) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one.

Molecular Properties

Compound Name1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
PubChem CID46545523
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC Name1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one
SMILESCCC1CCCCN1C(=O)C(C)Sc1ncc(-c2ccccc2)[nH]1
InChIInChI=1S/C19H25N3OS/c1-3-16-11-7-8-12-22(16)18(23)14(2)24-19-20-13-17(21-19)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,3,7-8,11-12H2,1-2H3,(H,20,21)
InChIKeySOXFKDMZIAYACE-UHFFFAOYSA-N
XLogP4.35
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-amino-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 78762737
1-(2-ethylpiperidin-1-yl)-2-(2-fluorophenyl)sulfanylpropan-1-one
CID 112778414
1-(2-ethylpiperidin-1-yl)-2-quinazolin-4-ylsulfanylpropan-1-one
CID 78761223
2-methyl-1-[2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]butan-1-one
CID 138043679
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-(1-methylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 93250399
2-[1-(2-ethylpiperidin-1-yl)-1-oxopropan-2-yl]sulfanyl-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 43032371
3-methyl-1-morpholin-4-yl-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]butan-1-one
CID 71898701
(2S)-1-[(2R)-2-ethylpiperidin-1-yl]-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 41084119
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropan-1-one
CID 40565685
1-(2-ethylpiperidin-1-yl)-2-[(5-ethyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one
CID 47138885
(2R)-1-[(2S)-2-ethylpiperidin-1-yl]-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 9263915
2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-1-(2-ethylpiperidin-1-yl)propan-1-one
CID 112783376

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one?
The IUPAC name of 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one (CID 46545523) is 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one.
What is the SMILES notation for 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one?
The canonical SMILES for 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one is CCC1CCCCN1C(=O)C(C)Sc1ncc(-c2ccccc2)[nH]1.
What is the InChIKey of 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one?
The InChIKey is SOXFKDMZIAYACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-3-16-11-7-8-12-22(16)18(23)14(2)24-19-20-13-17(21-19)15-9-5-4-6-10-15/h4-6,9-10,13-14,16H,3,7-8,11-12H2,1-2H3,(H,20,21).
What are the key properties of 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one?
1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one has a molecular weight of 343.50 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-imidazol-2-yl)sulfanyl]propan-1-one is sourced from PubChem (CID 46545523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).