2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone

C20H23N5OS — CID 91625184

IUPAC2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C20H23N5OS/c26-20(14-25-18-4-2-1-3-17(18)21-22-25)23-9-5-16(6-10-23)24-11-7-19-15(13-24)8-12-27-19/h1-4,8,12,16H,5-7,9-11,13-14H2
InChIKeyXUSKOMRGIWIYKQ-UHFFFAOYSA-N
MW381.51 g/mol
LogP2.54
Rot. Bonds3

About 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone

2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone (PubChem CID 91625184) has the molecular formula C20H23N5OS and a molecular weight of 381.51 g/mol. Its IUPAC name is 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone
PubChem CID91625184
Molecular FormulaC20H23N5OS
Molecular Weight381.51 g/mol
Exact Mass381.16
IUPAC Name2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone
SMILESO=C(Cn1nnc2ccccc21)N1CCC(N2CCc3sccc3C2)CC1
InChIInChI=1S/C20H23N5OS/c26-20(14-25-18-4-2-1-3-17(18)21-22-25)23-9-5-16(6-10-23)24-11-7-19-15(13-24)8-12-27-19/h1-4,8,12,16H,5-7,9-11,13-14H2
InChIKeyXUSKOMRGIWIYKQ-UHFFFAOYSA-N
XLogP2.54
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.51
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone 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 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone?
The IUPAC name of 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone (CID 91625184) is 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone?
The canonical SMILES for 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone is O=C(Cn1nnc2ccccc21)N1CCC(N2CCc3sccc3C2)CC1.
What is the InChIKey of 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone?
The InChIKey is XUSKOMRGIWIYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5OS/c26-20(14-25-18-4-2-1-3-17(18)21-22-25)23-9-5-16(6-10-23)24-11-7-19-15(13-24)8-12-27-19/h1-4,8,12,16H,5-7,9-11,13-14H2.
What are the key properties of 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone?
2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone has a molecular weight of 381.51 g/mol, XLogP of 2.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzotriazol-1-yl)-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)piperidin-1-yl]ethanone is sourced from PubChem (CID 91625184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).