2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol

C25H29N3O3 — CID 90797058

IUPAC2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
SMILESCOc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-26-20-9-5-4-8-19(20)24-21(26)17-28(25(24)29)18-10-11-22(30-2)23(16-18)31-15-14-27-12-6-3-7-13-27/h4-5,8-11,16-17,29H,3,6-7,12-15H2,1-2H3
InChIKeyYPMGCYDHZRFVCA-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.70
Rot. Bonds6

About 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol

2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol (PubChem CID 90797058) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol.

Molecular Properties

Compound Name2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
PubChem CID90797058
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
SMILESCOc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCCCC1
InChIInChI=1S/C25H29N3O3/c1-26-20-9-5-4-8-19(20)24-21(26)17-28(25(24)29)18-10-11-22(30-2)23(16-18)31-15-14-27-12-6-3-7-13-27/h4-5,8-11,16-17,29H,3,6-7,12-15H2,1-2H3
InChIKeyYPMGCYDHZRFVCA-UHFFFAOYSA-N
XLogP4.70
TPSA51.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol with MolForge

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Related Compounds

2-[4-methoxy-3-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol
CID 91371946
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-[1]benzothiolo[2,3-c]pyrrol-1-ol
CID 91012940
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
6,7-dichloro-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one;hydrochloride
CID 10346748
6-bromo-2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methyl-3H-pyrrolo[3,4-b]indol-1-one
CID 142938999
4-[4-methoxy-N-methyl-3-(2-piperidin-1-ylethoxy)anilino]chromen-2-one
CID 135259640

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The IUPAC name of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol (CID 90797058) is 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol.
What is the SMILES notation for 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The canonical SMILES for 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol is COc1ccc(-n2cc3c(c2O)c2ccccc2n3C)cc1OCCN1CCCCC1.
What is the InChIKey of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
The InChIKey is YPMGCYDHZRFVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3/c1-26-20-9-5-4-8-19(20)24-21(26)17-28(25(24)29)18-10-11-22(30-2)23(16-18)31-15-14-27-12-6-3-7-13-27/h4-5,8-11,16-17,29H,3,6-7,12-15H2,1-2H3.
What are the key properties of 2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol?
2-[4-methoxy-3-(2-piperidin-1-ylethoxy)phenyl]-4-methylpyrrolo[3,4-b]indol-1-ol has a molecular weight of 419.53 g/mol, XLogP of 4.70, 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]-4-methylpyrrolo[3,4-b]indol-1-ol is sourced from PubChem (CID 90797058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).