1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine

C27H29NO4S2 — CID 70230871

IUPAC1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OCCN3CCCCC3)cs2)cc1
InChIInChI=1S/C27H29NO4S2/c1-29-20-8-6-19(7-9-20)27-26(23-11-10-21(30-2)16-24(23)34-27)32-25-17-22(18-33-25)31-15-14-28-12-4-3-5-13-28/h6-11,16-18H,3-5,12-15H2,1-2H3
InChIKeyGGIKDOSMZQFZKQ-UHFFFAOYSA-N
MW495.67 g/mol
LogP7.30
Rot. Bonds9

About 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine

1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine (PubChem CID 70230871) has the molecular formula C27H29NO4S2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine.

Molecular Properties

Compound Name1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine
PubChem CID70230871
Molecular FormulaC27H29NO4S2
Molecular Weight495.67 g/mol
Exact Mass495.15
IUPAC Name1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine
SMILESCOc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OCCN3CCCCC3)cs2)cc1
InChIInChI=1S/C27H29NO4S2/c1-29-20-8-6-19(7-9-20)27-26(23-11-10-21(30-2)16-24(23)34-27)32-25-17-22(18-33-25)31-15-14-28-12-4-3-5-13-28/h6-11,16-18H,3-5,12-15H2,1-2H3
InChIKeyGGIKDOSMZQFZKQ-UHFFFAOYSA-N
XLogP7.30
TPSA40.16 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.67
LogP ≤ 57.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine with MolForge

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Related Compounds

1-[2-[4-[(6-methoxy-2-phenyl-1-benzothiophen-3-yl)oxy]phenoxy]ethyl]piperidine
CID 15429025
4-[6-methoxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253223
4-[6-methoxy-3-[4-(2-pyrrolidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenol;hydrochloride
CID 21253271
1-[2-[4-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]phenyl]sulfanyloxyethyl]pyrrolidine
CID 21253265
[2-(4-fluorophenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 100980643
(6-methoxy-2-phenyl-1-benzothiophen-3-yl)-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 10648095
1-[2-[4-[[2-(4-methylsulfonylphenyl)-6-phenylmethoxy-1-benzothiophen-3-yl]oxy]phenoxy]ethyl]piperidine
CID 69076496
[2-(2-ethyl-4-methoxyphenyl)-6-methoxy-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19600498
4-[3-[4-[2-(azepan-1-yl)ethoxy]phenoxy]-6-methoxy-1-benzothiophen-2-yl]cyclohexa-2,4-diene-1-carbaldehyde
CID 163866425
[4-[6-benzoyloxy-3-[4-(2-piperidin-1-ylethoxy)phenoxy]-1-benzothiophen-2-yl]phenyl] benzoate;hydrochloride
CID 21253266
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209
[6-ethenyl-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362883

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine?
The IUPAC name of 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine (CID 70230871) is 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine.
What is the SMILES notation for 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine?
The canonical SMILES for 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine is COc1ccc(-c2sc3cc(OC)ccc3c2Oc2cc(OCCN3CCCCC3)cs2)cc1.
What is the InChIKey of 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine?
The InChIKey is GGIKDOSMZQFZKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29NO4S2/c1-29-20-8-6-19(7-9-20)27-26(23-11-10-21(30-2)16-24(23)34-27)32-25-17-22(18-33-25)31-15-14-28-12-4-3-5-13-28/h6-11,16-18H,3-5,12-15H2,1-2H3.
What are the key properties of 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine?
1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine has a molecular weight of 495.67 g/mol, XLogP of 7.30, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5-[[6-methoxy-2-(4-methoxyphenyl)-1-benzothiophen-3-yl]oxy]thiophen-3-yl]oxyethyl]piperidine is sourced from PubChem (CID 70230871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).