(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone

C23H31N3OS — CID 118783962

IUPAC(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone
SMILESCCc1ccc(CN2CCc3c(C(=O)N4CCCCC4CC)csc3C2)nc1
InChIInChI=1S/C23H31N3OS/c1-3-17-8-9-18(24-13-17)14-25-12-10-20-21(16-28-22(20)15-25)23(27)26-11-6-5-7-19(26)4-2/h8-9,13,16,19H,3-7,10-12,14-15H2,1-2H3
InChIKeyWUPLVBXPZORAIC-UHFFFAOYSA-N
MW397.59 g/mol
LogP4.67
Rot. Bonds5

About (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone

(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone (PubChem CID 118783962) has the molecular formula C23H31N3OS and a molecular weight of 397.59 g/mol. Its IUPAC name is (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone.

Molecular Properties

Compound Name(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone
PubChem CID118783962
Molecular FormulaC23H31N3OS
Molecular Weight397.59 g/mol
Exact Mass397.22
IUPAC Name(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone
SMILESCCc1ccc(CN2CCc3c(C(=O)N4CCCCC4CC)csc3C2)nc1
InChIInChI=1S/C23H31N3OS/c1-3-17-8-9-18(24-13-17)14-25-12-10-20-21(16-28-22(20)15-25)23(27)26-11-6-5-7-19(26)4-2/h8-9,13,16,19H,3-7,10-12,14-15H2,1-2H3
InChIKeyWUPLVBXPZORAIC-UHFFFAOYSA-N
XLogP4.67
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.59
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 126424380
[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-[(3R)-3-methylpiperidin-1-yl]methanone
CID 126431331
N-(cyclopropylmethyl)-N-ethyl-6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118787629
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118786163
[6-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]-(2-ethylpiperidin-1-yl)methanone
CID 118770407
4-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carbonyl]piperazin-2-one
CID 118777448
6-[(5-ethyl-2-pyridinyl)methyl]-N-(4-hydroxycyclohexyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118771421
6-[(5-ethyl-2-pyridinyl)methyl]-N-(oxolan-2-ylmethyl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118780245
6-[(5-ethyl-2-pyridinyl)methyl]-N-(1-methylpyrrolidin-3-yl)-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118761967
6-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118768132
6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(1-methylpyrazol-4-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118767219
6-[(5-ethyl-2-pyridinyl)methyl]-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 118762819

Frequently Asked Questions

What is the IUPAC name of (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone?
The IUPAC name of (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone (CID 118783962) is (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone.
What is the SMILES notation for (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone?
The canonical SMILES for (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone is CCc1ccc(CN2CCc3c(C(=O)N4CCCCC4CC)csc3C2)nc1.
What is the InChIKey of (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone?
The InChIKey is WUPLVBXPZORAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3OS/c1-3-17-8-9-18(24-13-17)14-25-12-10-20-21(16-28-22(20)15-25)23(27)26-11-6-5-7-19(26)4-2/h8-9,13,16,19H,3-7,10-12,14-15H2,1-2H3.
What are the key properties of (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone?
(2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone has a molecular weight of 397.59 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpiperidin-1-yl)-[6-[(5-ethyl-2-pyridinyl)methyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-3-yl]methanone is sourced from PubChem (CID 118783962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).