2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone

C34H44N6O4 — CID 10531639

IUPAC2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
SMILESNCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12
InChIInChI=1S/C34H44N6O4/c35-11-5-25-19-37-31-3-1-27(17-29(25)31)43-21-33(41)39-13-7-23(8-14-39)24-9-15-40(16-10-24)34(42)22-44-28-2-4-32-30(18-28)26(6-12-36)20-38-32/h1-4,17-20,23-24,37-38H,5-16,21-22,35-36H2
InChIKeySQMSKBYHTUAWDC-UHFFFAOYSA-N
MW600.76 g/mol
LogP3.59
Rot. Bonds11

About 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone

2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone (PubChem CID 10531639) has the molecular formula C34H44N6O4 and a molecular weight of 600.76 g/mol. Its IUPAC name is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
PubChem CID10531639
Molecular FormulaC34H44N6O4
Molecular Weight600.76 g/mol
Exact Mass600.34
IUPAC Name2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone
SMILESNCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12
InChIInChI=1S/C34H44N6O4/c35-11-5-25-19-37-31-3-1-27(17-29(25)31)43-21-33(41)39-13-7-23(8-14-39)24-9-15-40(16-10-24)34(42)22-44-28-2-4-32-30(18-28)26(6-12-36)20-38-32/h1-4,17-20,23-24,37-38H,5-16,21-22,35-36H2
InChIKeySQMSKBYHTUAWDC-UHFFFAOYSA-N
XLogP3.59
TPSA142.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.76
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone (CID 10531639) is 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone is NCCc1c[nH]c2ccc(OCC(=O)N3CCC(C4CCN(C(=O)COc5ccc6[nH]cc(CCN)c6c5)CC4)CC3)cc12.
What is the InChIKey of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone?
The InChIKey is SQMSKBYHTUAWDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44N6O4/c35-11-5-25-19-37-31-3-1-27(17-29(25)31)43-21-33(41)39-13-7-23(8-14-39)24-9-15-40(16-10-24)34(42)22-44-28-2-4-32-30(18-28)26(6-12-36)20-38-32/h1-4,17-20,23-24,37-38H,5-16,21-22,35-36H2.
What are the key properties of 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone?
2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone has a molecular weight of 600.76 g/mol, XLogP of 3.59, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]-1-[4-[1-[2-[[3-(2-aminoethyl)-1H-indol-5-yl]oxy]acetyl]piperidin-4-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 10531639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).