3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

C21H31N3OS — CID 166258423

IUPAC3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCCC(C23CCC2CCN3)C1)N1CCc2sccc2C1
InChIInChI=1S/C21H31N3OS/c25-20(24-12-5-19-16(14-24)7-13-26-19)6-11-23-10-1-2-18(15-23)21-8-3-17(21)4-9-22-21/h7,13,17-18,22H,1-6,8-12,14-15H2
InChIKeyXRMLJFIJUMJMJQ-UHFFFAOYSA-N
MW373.57 g/mol
LogP2.88
Rot. Bonds4

About 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one

3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (PubChem CID 166258423) has the molecular formula C21H31N3OS and a molecular weight of 373.57 g/mol. Its IUPAC name is 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.

Molecular Properties

Compound Name3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
PubChem CID166258423
Molecular FormulaC21H31N3OS
Molecular Weight373.57 g/mol
Exact Mass373.22
IUPAC Name3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
SMILESO=C(CCN1CCCC(C23CCC2CCN3)C1)N1CCc2sccc2C1
InChIInChI=1S/C21H31N3OS/c25-20(24-12-5-19-16(14-24)7-13-26-19)6-11-23-10-1-2-18(15-23)21-8-3-17(21)4-9-22-21/h7,13,17-18,22H,1-6,8-12,14-15H2
InChIKeyXRMLJFIJUMJMJQ-UHFFFAOYSA-N
XLogP2.88
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.57
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one with MolForge

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

Launch Full Analysis

Related Compounds

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-(4-hydroxypiperidin-1-yl)propan-1-one
CID 47314056
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]butane-1,4-dione
CID 146084705
(2S)-1-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119910319
3-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 56816880
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-[3-(methylaminomethyl)piperidin-1-yl]butane-1,4-dione
CID 119397234
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-piperazin-1-ylethanone
CID 16770326
1-[2-(aminomethyl)piperidin-1-yl]-4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)butane-1,4-dione
CID 119468271
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[(2R)-2-thiophen-3-ylpyrrolidin-1-yl]propan-1-one
CID 94632074
N-cyclopropyl-1-[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-4-oxobutanoyl]piperidine-3-carboxamide
CID 49351109
2-(1-aminocyclobutyl)-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 79851562
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(2-pyrrolidin-1-ylethylamino)ethanone
CID 60711035
1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(4-methylpiperazin-1-yl)ethanone
CID 25116648

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The IUPAC name of 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one (CID 166258423) is 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one.
What is the SMILES notation for 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The canonical SMILES for 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is O=C(CCN1CCCC(C23CCC2CCN3)C1)N1CCc2sccc2C1.
What is the InChIKey of 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
The InChIKey is XRMLJFIJUMJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3OS/c25-20(24-12-5-19-16(14-24)7-13-26-19)6-11-23-10-1-2-18(15-23)21-8-3-17(21)4-9-22-21/h7,13,17-18,22H,1-6,8-12,14-15H2.
What are the key properties of 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one?
3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one has a molecular weight of 373.57 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-azabicyclo[3.2.0]heptan-1-yl)piperidin-1-yl]-1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one is sourced from PubChem (CID 166258423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).