[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

C15H19N3OS — CID 124971094

IUPAC[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1
InChIInChI=1S/C15H19N3OS/c1-11-8-17(2)14(16-11)12-4-3-6-18(9-12)15(19)13-5-7-20-10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m1/s1
InChIKeyJULQVGYWKYKPHS-GFCCVEGCSA-N
MW289.40 g/mol
LogP2.81
Rot. Bonds2

About [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 124971094) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
PubChem CID124971094
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone
SMILESCc1cn(C)c([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1
InChIInChI=1S/C15H19N3OS/c1-11-8-17(2)14(16-11)12-4-3-6-18(9-12)15(19)13-5-7-20-10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m1/s1
InChIKeyJULQVGYWKYKPHS-GFCCVEGCSA-N
XLogP2.81
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 125015112
1-benzothiophen-2-yl-[3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]methanone
CID 110104156
[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 175652473
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 125027185
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(4-pyrrolidin-1-ylphenyl)methanone
CID 124964571
[3-(4-ethyl-1,2,4-triazol-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 53192735
[(3S)-3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 31403281
[(3S)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 124972028
[3-(4,6-dimethylpyrimidin-2-yl)oxypiperidin-1-yl]-thiophen-3-ylmethanone
CID 122257905
2H-benzotriazol-5-yl-[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methanone
CID 124973256
1-[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 124981783
[(3R)-3-(4-methylpyrazol-1-yl)piperidin-1-yl]-thiophen-3-ylmethanone
CID 95297967

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone (CID 124971094) is [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccsc3)C2)n1.
What is the InChIKey of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JULQVGYWKYKPHS-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-11-8-17(2)14(16-11)12-4-3-6-18(9-12)15(19)13-5-7-20-10-13/h5,7-8,10,12H,3-4,6,9H2,1-2H3/t12-/m1/s1.
What are the key properties of [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone?
[(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 289.40 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(1,4-dimethylimidazol-2-yl)piperidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 124971094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).