cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone

C19H26N2O2S — CID 46442151

IUPACcyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H26N2O2S/c1-2-16-15-8-12-24-17(15)7-11-21(16)19(23)14-5-9-20(10-6-14)18(22)13-3-4-13/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyWBEOGWFTVPYTGX-UHFFFAOYSA-N
MW346.50 g/mol
LogP3.23
Rot. Bonds3

About cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone

cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone (PubChem CID 46442151) has the molecular formula C19H26N2O2S and a molecular weight of 346.50 g/mol. Its IUPAC name is cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
PubChem CID46442151
Molecular FormulaC19H26N2O2S
Molecular Weight346.50 g/mol
Exact Mass346.17
IUPAC Namecyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone
SMILESCCC1c2ccsc2CCN1C(=O)C1CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C19H26N2O2S/c1-2-16-15-8-12-24-17(15)7-11-21(16)19(23)14-5-9-20(10-6-14)18(22)13-3-4-13/h8,12-14,16H,2-7,9-11H2,1H3
InChIKeyWBEOGWFTVPYTGX-UHFFFAOYSA-N
XLogP3.23
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.50
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-[(3R)-piperidin-3-yl]methanone
CID 81130003
[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 177183298
(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
(2-aminocyclohexyl)-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 64822421
2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294015
1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-(methylamino)ethanone;hydrochloride
CID 119731903
(2S)-1-[(4S)-4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-methylbutan-1-one
CID 94822699
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one;hydrochloride
CID 119294012
(2S)-2-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propan-1-one
CID 61146658
methyl 4-[(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)amino]piperidine-1-carboxylate
CID 86842349
[1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)methanone
CID 24623002
3-amino-1-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2,2,3-trimethylbutan-1-one
CID 65269950

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone (CID 46442151) is cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone is CCC1c2ccsc2CCN1C(=O)C1CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone?
The InChIKey is WBEOGWFTVPYTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2S/c1-2-16-15-8-12-24-17(15)7-11-21(16)19(23)14-5-9-20(10-6-14)18(22)13-3-4-13/h8,12-14,16H,2-7,9-11H2,1H3.
What are the key properties of cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone?
cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone has a molecular weight of 346.50 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)piperidin-1-yl]methanone is sourced from PubChem (CID 46442151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).