3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine

C20H25N3OS — CID 67650966

IUPAC3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccnc1N1CCNC(CCC2CSc3ccccc32)C1
InChIInChI=1S/C20H25N3OS/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19/h2-7,10,15-16,21H,8-9,11-14H2,1H3
InChIKeyBKVDFARFULOZHB-UHFFFAOYSA-N
MW355.51 g/mol
LogP3.54
Rot. Bonds5

About 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine

3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine (PubChem CID 67650966) has the molecular formula C20H25N3OS and a molecular weight of 355.51 g/mol. Its IUPAC name is 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine.

Molecular Properties

Compound Name3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
PubChem CID67650966
Molecular FormulaC20H25N3OS
Molecular Weight355.51 g/mol
Exact Mass355.17
IUPAC Name3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
SMILESCOc1cccnc1N1CCNC(CCC2CSc3ccccc32)C1
InChIInChI=1S/C20H25N3OS/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19/h2-7,10,15-16,21H,8-9,11-14H2,1H3
InChIKeyBKVDFARFULOZHB-UHFFFAOYSA-N
XLogP3.54
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.51
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650077
3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
CID 67651361
1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 19081518
3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67651694
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
2-(3-ethylpiperazin-1-yl)pyridine-3-carbonitrile
CID 167849231
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3-methyl-1,4-diazepane
CID 79226076
ethyl 1-(3-methoxy-2-pyridinyl)piperidine-3-carboxylate
CID 113371227
5-(2,3-dihydro-1-benzothiophen-3-yl)pentan-2-ol
CID 79225995
1-(2-chlorophenyl)-4-(3-methoxy-2-pyridinyl)piperazine
CID 171335865
N-[(3,4-dimethoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180625

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine?
The IUPAC name of 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine (CID 67650966) is 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine.
What is the SMILES notation for 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine?
The canonical SMILES for 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine is COc1cccnc1N1CCNC(CCC2CSc3ccccc32)C1.
What is the InChIKey of 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine?
The InChIKey is BKVDFARFULOZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3OS/c1-24-18-6-4-10-22-20(18)23-12-11-21-16(13-23)9-8-15-14-25-19-7-3-2-5-17(15)19/h2-7,10,15-16,21H,8-9,11-14H2,1H3.
What are the key properties of 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine?
3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine has a molecular weight of 355.51 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine is sourced from PubChem (CID 67650966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).