[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

C18H23N3OS — CID 129396873

IUPAC[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)csc2C1
InChIInChI=1S/C18H23N3OS/c1-12-4-5-14-15(11-23-17(14)9-12)18(22)21-8-2-3-13(10-21)16-6-7-19-20-16/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyFNYKHFAFNMYYPF-CHWSQXEVSA-N
MW329.47 g/mol
LogP3.62
Rot. Bonds2

About [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone

[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (PubChem CID 129396873) has the molecular formula C18H23N3OS and a molecular weight of 329.47 g/mol. Its IUPAC name is [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
PubChem CID129396873
Molecular FormulaC18H23N3OS
Molecular Weight329.47 g/mol
Exact Mass329.16
IUPAC Name[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone
SMILESC[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)csc2C1
InChIInChI=1S/C18H23N3OS/c1-12-4-5-14-15(11-23-17(14)9-12)18(22)21-8-2-3-13(10-21)16-6-7-19-20-16/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20)/t12-,13-/m1/s1
InChIKeyFNYKHFAFNMYYPF-CHWSQXEVSA-N
XLogP3.62
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The IUPAC name of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone (CID 129396873) is [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone.
What is the SMILES notation for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The canonical SMILES for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is C[C@@H]1CCc2c(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)csc2C1.
What is the InChIKey of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
The InChIKey is FNYKHFAFNMYYPF-CHWSQXEVSA-N. The full InChI is InChI=1S/C18H23N3OS/c1-12-4-5-14-15(11-23-17(14)9-12)18(22)21-8-2-3-13(10-21)16-6-7-19-20-16/h6-7,11-13H,2-5,8-10H2,1H3,(H,19,20)/t12-,13-/m1/s1.
What are the key properties of [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone?
[(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone has a molecular weight of 329.47 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(6R)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl]-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 129396873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).