4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol

C24H30N4O2 — CID 155776079

IUPAC4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
SMILESOc1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C24H30N4O2/c29-20-5-6-23(24(17-20)28-13-15-30-16-14-28)27-11-9-26(10-12-27)8-7-19-18-25-22-4-2-1-3-21(19)22/h1-6,17-18,25,29H,7-16H2
InChIKeyUVGUFUUIKSIEGQ-UHFFFAOYSA-N
MW406.53 g/mol
LogP3.07
Rot. Bonds5

About 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol

4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol (PubChem CID 155776079) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol.

Molecular Properties

Compound Name4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
PubChem CID155776079
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC Name4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol
SMILESOc1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c(N2CCOCC2)c1
InChIInChI=1S/C24H30N4O2/c29-20-5-6-23(24(17-20)28-13-15-30-16-14-28)27-11-9-26(10-12-27)8-7-19-18-25-22-4-2-1-3-21(19)22/h1-6,17-18,25,29H,7-16H2
InChIKeyUVGUFUUIKSIEGQ-UHFFFAOYSA-N
XLogP3.07
TPSA54.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-2,1,3-benzothiadiazole
CID 141091044
4-[2-(1H-indol-3-yl)ethyl]piperazine-1-carbaldehyde
CID 91084591
N-[2-(1H-indol-3-yl)ethyl]-4-(2-morpholin-4-ylethyl)piperazine-1-carboxamide
CID 113105921
2-(1H-indol-3-yl)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]ethanone
CID 113073681
4-[2-(1H-indol-3-yl)ethyl]-1,4-thiazinane 1,1-dioxide
CID 2767993
N'-[2-(1H-indol-3-yl)ethyl]-N-(3-morpholin-4-ylpropyl)oxamide
CID 44902823
2-(1H-indol-3-yl)-1-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]ethanone
CID 110412445
1-[2-(1H-indol-3-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 108988276
N-(3-chloro-4-morpholin-4-ylphenyl)-4-(1H-indol-3-yl)butanamide
CID 20968974
1-[2-(1H-indol-3-yl)ethyl]-3-morpholin-4-yl-4-phenylpyrrole-2,5-dione
CID 110558522

Frequently Asked Questions

What is the IUPAC name of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol?
The IUPAC name of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol (CID 155776079) is 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol.
What is the SMILES notation for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol?
The canonical SMILES for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol is Oc1ccc(N2CCN(CCc3c[nH]c4ccccc34)CC2)c(N2CCOCC2)c1.
What is the InChIKey of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol?
The InChIKey is UVGUFUUIKSIEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c29-20-5-6-23(24(17-20)28-13-15-30-16-14-28)27-11-9-26(10-12-27)8-7-19-18-25-22-4-2-1-3-21(19)22/h1-6,17-18,25,29H,7-16H2.
What are the key properties of 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol?
4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol has a molecular weight of 406.53 g/mol, XLogP of 3.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]-3-morpholin-4-ylphenol is sourced from PubChem (CID 155776079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).