1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride

C27H35ClN2O2S — CID 21471833

IUPAC1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
SMILESCCc1c(CCN2CCC(c3coc4c(C)cccc34)CC2)sc2c1CCN(C(C)=O)C2.Cl
InChIInChI=1S/C27H34N2O2S.ClH/c1-4-21-22-10-15-29(19(3)30)16-26(22)32-25(21)11-14-28-12-8-20(9-13-28)24-17-31-27-18(2)6-5-7-23(24)27;/h5-7,17,20H,4,8-16H2,1-3H3;1H
InChIKeyRVZVJWNXQWTHJO-UHFFFAOYSA-N
MW487.11 g/mol
LogP6.11
Rot. Bonds5

About 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride

1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride (PubChem CID 21471833) has the molecular formula C27H35ClN2O2S and a molecular weight of 487.11 g/mol. Its IUPAC name is 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
PubChem CID21471833
Molecular FormulaC27H35ClN2O2S
Molecular Weight487.11 g/mol
Exact Mass486.21
IUPAC Name1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride
SMILESCCc1c(CCN2CCC(c3coc4c(C)cccc34)CC2)sc2c1CCN(C(C)=O)C2.Cl
InChIInChI=1S/C27H34N2O2S.ClH/c1-4-21-22-10-15-29(19(3)30)16-26(22)32-25(21)11-14-28-12-8-20(9-13-28)24-17-31-27-18(2)6-5-7-23(24)27;/h5-7,17,20H,4,8-16H2,1-3H3;1H
InChIKeyRVZVJWNXQWTHJO-UHFFFAOYSA-N
XLogP6.11
TPSA36.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.11
LogP ≤ 56.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride with MolForge

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Related Compounds

1-[3-ethyl-2-[2-[4-(6-hydroxy-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21471909
1-[3-ethyl-2-[2-[4-(5-methyl-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21472011
1-[2-[2-[4-(7-bromo-5-methoxy-1-benzofuran-2-yl)piperidin-1-yl]ethyl]-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21471768
1-[2-[2-[4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl]ethyl]-3-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;oxalic acid
CID 21471950
1-[3-ethyl-2-[2-[4-(4-fluorobenzoyl)piperidin-1-yl]ethyl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]ethanone
CID 21471956
2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21471825
1-(8-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 58777842
2-[2-[4-(4-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21472037
1-methyl-7-(7-methyl-1-benzofuran-3-yl)-1,4-diazepane
CID 82664723
1-[2-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 54392491
[4-(6-methyl-1-benzofuran-3-yl)piperidin-1-yl]-phenylmethanone
CID 175746087
ethyl 8-methoxy-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine-2-carboxylate
CID 66592540

Frequently Asked Questions

What is the IUPAC name of 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The IUPAC name of 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride (CID 21471833) is 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride is CCc1c(CCN2CCC(c3coc4c(C)cccc34)CC2)sc2c1CCN(C(C)=O)C2.Cl.
What is the InChIKey of 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
The InChIKey is RVZVJWNXQWTHJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N2O2S.ClH/c1-4-21-22-10-15-29(19(3)30)16-26(22)32-25(21)11-14-28-12-8-20(9-13-28)24-17-31-27-18(2)6-5-7-23(24)27;/h5-7,17,20H,4,8-16H2,1-3H3;1H.
What are the key properties of 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride?
1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride has a molecular weight of 487.11 g/mol, XLogP of 6.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-ethyl-2-[2-[4-(7-methyl-1-benzofuran-3-yl)piperidin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone;hydrochloride is sourced from PubChem (CID 21471833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).