2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol

C24H26N2O3S — CID 91012940

IUPAC2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
SMILESCOc1ccc(-n2cc3sc4ccccc4c3c2O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-28-19-10-9-17(15-20(19)29-14-13-25-11-5-2-6-12-25)26-16-22-23(24(26)27)18-7-3-4-8-21(18)30-22/h3-4,7-10,15-16,27H,2,5-6,11-14H2,1H3
InChIKeyPBCOCOHMUAUGRX-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.42
Rot. Bonds6

About 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol

2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol (PubChem CID 91012940) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
PubChem CID91012940
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC Name2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
SMILESCOc1ccc(-n2cc3sc4ccccc4c3c2O)cc1OCCN1CCCCC1
InChIInChI=1S/C24H26N2O3S/c1-28-19-10-9-17(15-20(19)29-14-13-25-11-5-2-6-12-25)26-16-22-23(24(26)27)18-7-3-4-8-21(18)30-22/h3-4,7-10,15-16,27H,2,5-6,11-14H2,1H3
InChIKeyPBCOCOHMUAUGRX-UHFFFAOYSA-N
XLogP5.42
TPSA46.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol with MolForge

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Related Compounds

2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 90797058
2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 91371946
7-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 90737160
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
7-bromo-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91317724
6,7-dichloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91409732
4-hydroxy-3-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-1-(4-phenylphenyl)imidazol-2-one
CID 91971094
5-chloro-2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]isoindol-1-ol
CID 91040837
[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methanamine
CID 20987572
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
CID 135259640
N-[[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]methylidene]hydroxylamine
CID 22680522
1-[2-(4-benzyl-2-methoxyphenoxy)ethyl]pyrrolidine
CID 10638790

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol?
The IUPAC name of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol (CID 91012940) is 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol?
The canonical SMILES for 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol is COc1ccc(-n2cc3sc4ccccc4c3c2O)cc1OCCN1CCCCC1.
What is the InChIKey of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol?
The InChIKey is PBCOCOHMUAUGRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-28-19-10-9-17(15-20(19)29-14-13-25-11-5-2-6-12-25)26-16-22-23(24(26)27)18-7-3-4-8-21(18)30-22/h3-4,7-10,15-16,27H,2,5-6,11-14H2,1H3.
What are the key properties of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol?
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol has a molecular weight of 422.55 g/mol, XLogP of 5.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol is sourced from PubChem (CID 91012940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).