[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol

C26H31N3O2 — CID 67713549

IUPAC[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol
SMILESCOc1ccc2c(ccn2CCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1
InChIInChI=1S/C26H31N3O2/c1-31-25-10-9-24-21(26(25)29-12-3-2-4-13-29)11-15-28(24)14-5-6-20-17-27-23-8-7-19(18-30)16-22(20)23/h7-11,15-17,27,30H,2-6,12-14,18H2,1H3
InChIKeyMZMYJZGOOWYISN-UHFFFAOYSA-N
MW417.55 g/mol
LogP5.25
Rot. Bonds7

About [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol

[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol (PubChem CID 67713549) has the molecular formula C26H31N3O2 and a molecular weight of 417.55 g/mol. Its IUPAC name is [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol.

Molecular Properties

Compound Name[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol
PubChem CID67713549
Molecular FormulaC26H31N3O2
Molecular Weight417.55 g/mol
Exact Mass417.24
IUPAC Name[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol
SMILESCOc1ccc2c(ccn2CCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1
InChIInChI=1S/C26H31N3O2/c1-31-25-10-9-24-21(26(25)29-12-3-2-4-13-29)11-15-28(24)14-5-6-20-17-27-23-8-7-19(18-30)16-22(20)23/h7-11,15-17,27,30H,2-6,12-14,18H2,1H3
InChIKeyMZMYJZGOOWYISN-UHFFFAOYSA-N
XLogP5.25
TPSA53.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.55
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol?
The IUPAC name of [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol (CID 67713549) is [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol.
What is the SMILES notation for [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol?
The canonical SMILES for [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol is COc1ccc2c(ccn2CCCc2c[nH]c3ccc(CO)cc23)c1N1CCCCC1.
What is the InChIKey of [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol?
The InChIKey is MZMYJZGOOWYISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N3O2/c1-31-25-10-9-24-21(26(25)29-12-3-2-4-13-29)11-15-28(24)14-5-6-20-17-27-23-8-7-19(18-30)16-22(20)23/h7-11,15-17,27,30H,2-6,12-14,18H2,1H3.
What are the key properties of [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol?
[3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol has a molecular weight of 417.55 g/mol, XLogP of 5.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(5-methoxy-4-piperidin-1-ylindol-1-yl)propyl]-1H-indol-5-yl]methanol is sourced from PubChem (CID 67713549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).