3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine

C22H29N3OS — CID 67651361

IUPAC3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
SMILESCOc1cccnc1N1CCNC(C)(CCCC2CSc3ccccc32)C1
InChIInChI=1S/C22H29N3OS/c1-22(11-5-7-17-15-27-20-10-4-3-8-18(17)20)16-25(14-13-24-22)21-19(26-2)9-6-12-23-21/h3-4,6,8-10,12,17,24H,5,7,11,13-16H2,1-2H3
InChIKeyANSLNVJHXIIKFR-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.32
Rot. Bonds6

About 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine

3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine (PubChem CID 67651361) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine.

Molecular Properties

Compound Name3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
PubChem CID67651361
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC Name3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine
SMILESCOc1cccnc1N1CCNC(C)(CCCC2CSc3ccccc32)C1
InChIInChI=1S/C22H29N3OS/c1-22(11-5-7-17-15-27-20-10-4-3-8-18(17)20)16-25(14-13-24-22)21-19(26-2)9-6-12-23-21/h3-4,6,8-10,12,17,24H,5,7,11,13-16H2,1-2H3
InChIKeyANSLNVJHXIIKFR-UHFFFAOYSA-N
XLogP4.32
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-4-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 19081518
3-[2-(2,3-dihydro-1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine
CID 67650966
3-[2-(2,3-dihydro-1-benzofuran-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67650077
1-(3-methoxy-2-pyridinyl)-4-methylazepan-4-ol
CID 107407374
1-(2,3-dihydro-1-benzothiophen-3-ylmethyl)-3,3-dimethyl-1,4-diazepane
CID 79226156
2-(3,3-difluoroazetidin-1-yl)-3-methoxypyridine
CID 175648008
3-methoxy-2-(4-methylpiperidin-1-yl)pyridine
CID 155975394
3-[2-(1-benzothiophen-3-yl)ethyl]-1-(3-methoxy-2-pyridinyl)piperazine;hydrochloride
CID 67651694
3-[(4-ethyl-2-methoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 107667679
3-[(2-ethoxyphenoxy)methyl]-2,3-dihydro-1-benzothiophene
CID 79403765
1-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]ethanone
CID 176933932
3-fluoro-2-[4-(2-methoxyphenyl)piperidin-1-yl]pyridine
CID 171914914

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine?
The IUPAC name of 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine (CID 67651361) is 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine.
What is the SMILES notation for 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine?
The canonical SMILES for 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine is COc1cccnc1N1CCNC(C)(CCCC2CSc3ccccc32)C1.
What is the InChIKey of 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine?
The InChIKey is ANSLNVJHXIIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-22(11-5-7-17-15-27-20-10-4-3-8-18(17)20)16-25(14-13-24-22)21-19(26-2)9-6-12-23-21/h3-4,6,8-10,12,17,24H,5,7,11,13-16H2,1-2H3.
What are the key properties of 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine?
3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine has a molecular weight of 383.56 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2,3-dihydro-1-benzothiophen-3-yl)propyl]-1-(3-methoxy-2-pyridinyl)-3-methylpiperazine is sourced from PubChem (CID 67651361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).