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(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

C16H21N3OS — CID 95326513

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-11-9-15(12(2)21-11)16(20)18-7-4-5-14(10-18)19-8-6-17-13(19)3/h6,8-9,14H,4-5,7,10H2,1-3H3/t14-/m1/s1
InChIKeyOOYZJWGLAYVTJB-CQSZACIVSA-N
MW303.43 g/mol
LogP3.35
Rot. Bonds2

About (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone

(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (PubChem CID 95326513) has the molecular formula C16H21N3OS and a molecular weight of 303.43 g/mol. Its IUPAC name is (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
PubChem CID95326513
Molecular FormulaC16H21N3OS
Molecular Weight303.43 g/mol
Exact Mass303.14
IUPAC Name(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)s1
InChIInChI=1S/C16H21N3OS/c1-11-9-15(12(2)21-11)16(20)18-7-4-5-14(10-18)19-8-6-17-13(19)3/h6,8-9,14H,4-5,7,10H2,1-3H3/t14-/m1/s1
InChIKeyOOYZJWGLAYVTJB-CQSZACIVSA-N
XLogP3.35
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The IUPAC name of (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone (CID 95326513) is (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The canonical SMILES for (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)s1.
What is the InChIKey of (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
The InChIKey is OOYZJWGLAYVTJB-CQSZACIVSA-N. The full InChI is InChI=1S/C16H21N3OS/c1-11-9-15(12(2)21-11)16(20)18-7-4-5-14(10-18)19-8-6-17-13(19)3/h6,8-9,14H,4-5,7,10H2,1-3H3/t14-/m1/s1.
What are the key properties of (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone?
(2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone has a molecular weight of 303.43 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethylthiophen-3-yl)-[(3R)-3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 95326513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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