1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol

C26H29N3O2 — CID 143656922

IUPAC1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol
SMILESCc1cccc(-c2ccc(OCCN3CCC(O)CC3)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C26H29N3O2/c1-17-4-3-5-19(14-17)21-6-7-23(31-13-12-29-10-8-20(30)9-11-29)25-24(21)22-15-18(2)16-27-26(22)28-25/h3-7,14-16,20,30H,8-13H2,1-2H3,(H,27,28)
InChIKeyHRGOSCHLMMKNKI-UHFFFAOYSA-N
MW415.54 g/mol
LogP4.84
Rot. Bonds5

About 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol

1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol (PubChem CID 143656922) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol
PubChem CID143656922
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol
SMILESCc1cccc(-c2ccc(OCCN3CCC(O)CC3)c3[nH]c4ncc(C)cc4c23)c1
InChIInChI=1S/C26H29N3O2/c1-17-4-3-5-19(14-17)21-6-7-23(31-13-12-29-10-8-20(30)9-11-29)25-24(21)22-15-18(2)16-27-26(22)28-25/h3-7,14-16,20,30H,8-13H2,1-2H3,(H,27,28)
InChIKeyHRGOSCHLMMKNKI-UHFFFAOYSA-N
XLogP4.84
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol?
The IUPAC name of 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol (CID 143656922) is 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol is Cc1cccc(-c2ccc(OCCN3CCC(O)CC3)c3[nH]c4ncc(C)cc4c23)c1.
What is the InChIKey of 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol?
The InChIKey is HRGOSCHLMMKNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-17-4-3-5-19(14-17)21-6-7-23(31-13-12-29-10-8-20(30)9-11-29)25-24(21)22-15-18(2)16-27-26(22)28-25/h3-7,14-16,20,30H,8-13H2,1-2H3,(H,27,28).
What are the key properties of 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol?
1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol has a molecular weight of 415.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[3-methyl-5-(3-methylphenyl)-9H-pyrido[2,3-b]indol-8-yl]oxy]ethyl]piperidin-4-ol is sourced from PubChem (CID 143656922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).