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

C26H33N3O2S — CID 21472011

IUPAC1-[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
SMILESCCc1c(CCN2CCN(c3coc4ccc(C)cc34)CC2)sc2c1CCN(C(C)=O)C2
InChIInChI=1S/C26H33N3O2S/c1-4-20-21-7-10-29(19(3)30)16-26(21)32-25(20)8-9-27-11-13-28(14-12-27)23-17-31-24-6-5-18(2)15-22(23)24/h5-6,15,17H,4,7-14,16H2,1-3H3
InChIKeyOAXDWWNLPNJRGL-UHFFFAOYSA-N
MW451.64 g/mol
LogP4.63
Rot. Bonds5

About 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

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 (PubChem CID 21472011) has the molecular formula C26H33N3O2S and a molecular weight of 451.64 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[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
PubChem CID21472011
Molecular FormulaC26H33N3O2S
Molecular Weight451.64 g/mol
Exact Mass451.23
IUPAC Name1-[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
SMILESCCc1c(CCN2CCN(c3coc4ccc(C)cc34)CC2)sc2c1CCN(C(C)=O)C2
InChIInChI=1S/C26H33N3O2S/c1-4-20-21-7-10-29(19(3)30)16-26(21)32-25(20)8-9-27-11-13-28(14-12-27)23-17-31-24-6-5-18(2)15-22(23)24/h5-6,15,17H,4,7-14,16H2,1-3H3
InChIKeyOAXDWWNLPNJRGL-UHFFFAOYSA-N
XLogP4.63
TPSA39.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.64
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Related Compounds

[5-[[4-(1-Benzofuran-7-yl)piperazin-1-yl]methyl]thiophen-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 45262080
1-[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thiophen-2-ylmethyl]-piperidin-2-one;succinate
CID 10740276
[5-(4-Benzofuran-7-yl-piperazin-1-ylmethyl)-thiophen-2-yl]-piperidin-1-yl-methanone; hydrochloride
CID 10787677
1-[3-ethyl-2-[2-[4-(6-fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21471864
1-[3-ethyl-2-[2-[4-(7-fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21471897
1-[3-ethyl-2-[2-[4-(4-fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21471910
2-[2-[4-(7-Fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21471924
2-[2-[4-(4-Fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21471953
2-[2-[4-(6-Fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21472020
1-[3-ethyl-2-[2-[4-(5-fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-5,7-dihydro-4H-thieno[2,3-c]pyridin-6-yl]ethanone
CID 21472055
2-[2-[4-(5-Fluoro-1-benzofuran-3-yl)piperazin-1-yl]ethyl]-4,6,7,8-tetrahydrothieno[3,2-b]azepin-5-one
CID 21472057
3-[4-[4-(6-Fluoro-1-benzofuran-3-yl)piperazin-1-yl]butyl]-5-methyl-1,3-thiazolidin-4-one
CID 21706623

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1c(CCN2CCN(c3coc4ccc(C)cc34)CC2)sc2c1CCN(C(C)=O)C2.
What is the InChIKey of 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?
The InChIKey is OAXDWWNLPNJRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O2S/c1-4-20-21-7-10-29(19(3)30)16-26(21)32-25(20)8-9-27-11-13-28(14-12-27)23-17-31-24-6-5-18(2)15-22(23)24/h5-6,15,17H,4,7-14,16H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 451.64 g/mol, XLogP of 4.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 21472011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).