(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol

C24H29N3O2 — CID 7481670

IUPAC(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
SMILESCOc1ccc2[nH]cc([C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-29-20-9-10-23-21(16-20)22(17-25-23)24(28)18-27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,24-25,28H,11-15,18H2,1H3/b8-5+/t24-/m1/s1
InChIKeySPCHUMRESOMODO-GGXQVSFTSA-N
MW391.52 g/mol
LogP3.54
Rot. Bonds7

About (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol

(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol (PubChem CID 7481670) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
PubChem CID7481670
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol
SMILESCOc1ccc2[nH]cc([C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1
InChIInChI=1S/C24H29N3O2/c1-29-20-9-10-23-21(16-20)22(17-25-23)24(28)18-27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,24-25,28H,11-15,18H2,1H3/b8-5+/t24-/m1/s1
InChIKeySPCHUMRESOMODO-GGXQVSFTSA-N
XLogP3.54
TPSA51.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol with MolForge

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Related Compounds

1-(5-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanol
CID 3254372
(1R)-2-[4-(2-fluorophenyl)piperazin-1-yl]-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 2037410
(1R)-1-(1H-indol-3-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
CID 2003978
(1R)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-1-(5-methyl-1H-indol-3-yl)ethanol
CID 51586351
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one
CID 10113607
4-methoxy-2-[[4-(3-phenylprop-2-enyl)piperazin-1-yl]methyl]phenol
CID 782278
(E)-1-[4-[(2R)-2-hydroxy-2-(6-methoxyquinolin-4-yl)ethyl]piperazin-1-yl]-4-phenylbut-3-en-1-one;oxalic acid
CID 131737682
(2S)-2-(1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 39339728
2-(dimethylamino)-1-(5-methoxy-1H-indol-3-yl)ethanol
CID 166485207
(1R)-2-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-1-(6-methoxy-1H-indol-3-yl)ethanol
CID 51872207
(1S)-11-[2-hydroxy-2-(5-methoxy-1H-indol-3-yl)ethyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 171156974
(2-bromo-5-methoxyphenyl)-[4-(3-phenylprop-2-enyl)piperazin-1-yl]methanone
CID 4807090

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The IUPAC name of (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol (CID 7481670) is (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol.
What is the SMILES notation for (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The canonical SMILES for (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol is COc1ccc2[nH]cc([C@H](O)CN3CCN(C/C=C/c4ccccc4)CC3)c2c1.
What is the InChIKey of (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
The InChIKey is SPCHUMRESOMODO-GGXQVSFTSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-29-20-9-10-23-21(16-20)22(17-25-23)24(28)18-27-14-12-26(13-15-27)11-5-8-19-6-3-2-4-7-19/h2-10,16-17,24-25,28H,11-15,18H2,1H3/b8-5+/t24-/m1/s1.
What are the key properties of (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol?
(1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol has a molecular weight of 391.52 g/mol, XLogP of 3.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-methoxy-1H-indol-3-yl)-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 7481670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).