(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone

C15H22N2OS — CID 81130003

IUPAC(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCCC1c2ccsc2CCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H22N2OS/c1-2-13-12-6-9-19-14(12)5-8-17(13)15(18)11-4-3-7-16-10-11/h6,9,11,13,16H,2-5,7-8,10H2,1H3/t11-,13?/m1/s1
InChIKeyDHGAUMGPBLKNMU-JTDNENJMSA-N
MW278.42 g/mol
LogP2.58
Rot. Bonds2

About (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone (PubChem CID 81130003) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
PubChem CID81130003
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
SMILESCCC1c2ccsc2CCN1C(=O)[C@@H]1CCCNC1
InChIInChI=1S/C15H22N2OS/c1-2-13-12-6-9-19-14(12)5-8-17(13)15(18)11-4-3-7-16-10-11/h6,9,11,13,16H,2-5,7-8,10H2,1H3/t11-,13?/m1/s1
InChIKeyDHGAUMGPBLKNMU-JTDNENJMSA-N
XLogP2.58
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone with MolForge

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Related Compounds

cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
CID 46442151
(2-aminocyclohexyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 64822421
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-morpholin-2-ylethanone
CID 66428704
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24623002
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 75386976
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(2-ethylpyrrolidin-2-yl)methanone
CID 83072040
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-(3-ethylpyrrolidin-3-yl)methanone
CID 63143886
[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 177183298
2-(tert-butylamino)-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethanone
CID 112723931
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(3-methylazetidin-3-yl)oxyethanone
CID 102611383

Frequently Asked Questions

What is the IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone?
The IUPAC name of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone (CID 81130003) is (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone.
What is the SMILES notation for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone?
The canonical SMILES for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone is CCC1c2ccsc2CCN1C(=O)[C@@H]1CCCNC1.
What is the InChIKey of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone?
The InChIKey is DHGAUMGPBLKNMU-JTDNENJMSA-N. The full InChI is InChI=1S/C15H22N2OS/c1-2-13-12-6-9-19-14(12)5-8-17(13)15(18)11-4-3-7-16-10-11/h6,9,11,13,16H,2-5,7-8,10H2,1H3/t11-,13?/m1/s1.
What are the key properties of (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone?
(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone has a molecular weight of 278.42 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone is sourced from PubChem (CID 81130003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).