1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone

C24H28N2O3 — CID 17437228

IUPAC1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-17(27)18-6-8-21(9-7-18)29-16-20(28)15-26-12-10-19(11-13-26)23-14-25-24-5-3-2-4-22(23)24/h2-9,14,19-20,25,28H,10-13,15-16H2,1H3
InChIKeyUAAJDJRCRCVQTA-UHFFFAOYSA-N
MW392.50 g/mol
LogP3.99
Rot. Bonds7

About 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone

1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone (PubChem CID 17437228) has the molecular formula C24H28N2O3 and a molecular weight of 392.50 g/mol. Its IUPAC name is 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
PubChem CID17437228
Molecular FormulaC24H28N2O3
Molecular Weight392.50 g/mol
Exact Mass392.21
IUPAC Name1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C24H28N2O3/c1-17(27)18-6-8-21(9-7-18)29-16-20(28)15-26-12-10-19(11-13-26)23-14-25-24-5-3-2-4-22(23)24/h2-9,14,19-20,25,28H,10-13,15-16H2,1H3
InChIKeyUAAJDJRCRCVQTA-UHFFFAOYSA-N
XLogP3.99
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone with MolForge

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Related Compounds

methyl 2-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]benzoate
CID 56634055
1-[4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]phenyl]ethanone
CID 4551855
1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-(2-nitrophenoxy)propan-2-ol;hydrochloride
CID 70491898
1-[(2S)-3-(4-acetylphenoxy)-2-hydroxypropyl]piperidine-4-carboxamide
CID 6926891
1-[4-[3-(4-ethylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]ethanone
CID 4227652
1-[4-(2-hydroxy-3-piperidin-1-ylpropoxy)phenyl]ethanone;hydrochloride
CID 16806994
(2R)-1-[4-(1H-indol-3-yl)piperidin-1-yl]-3-pyrazol-1-ylpropan-2-ol
CID 125145329
1-[4-[(2S)-2-hydroxy-3-[(3S)-3-methylpiperidin-1-yl]propoxy]phenyl]ethanone
CID 7125581
4-[2-hydroxy-3-(4-methylpiperidin-1-yl)propoxy]benzoic acid
CID 6486810
(2S)-1-[4-(6-chloro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 70217212
1-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]-3-(1H-indol-4-yloxy)propan-2-ol
CID 21268311
1-[4-[(2S)-3-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-hydroxypropoxy]phenyl]ethanone
CID 7157868

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone (CID 17437228) is 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone is CC(=O)c1ccc(OCC(O)CN2CCC(c3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone?
The InChIKey is UAAJDJRCRCVQTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O3/c1-17(27)18-6-8-21(9-7-18)29-16-20(28)15-26-12-10-19(11-13-26)23-14-25-24-5-3-2-4-22(23)24/h2-9,14,19-20,25,28H,10-13,15-16H2,1H3.
What are the key properties of 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone?
1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone has a molecular weight of 392.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-hydroxy-3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]phenyl]ethanone is sourced from PubChem (CID 17437228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).