ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate

C27H32N2O3 — CID 51957752

IUPACethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H32N2O3/c1-2-32-27(31)18-24(20-8-4-3-5-9-20)21-14-16-29(17-15-21)26(30)13-12-22-19-28-25-11-7-6-10-23(22)25/h3-11,19,21,24,28H,2,12-18H2,1H3/t24-/m0/s1
InChIKeyLUVCOTKBWWQARX-DEOSSOPVSA-N
MW432.56 g/mol
LogP5.08
Rot. Bonds8

About ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate

ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate (PubChem CID 51957752) has the molecular formula C27H32N2O3 and a molecular weight of 432.56 g/mol. Its IUPAC name is ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate.

Molecular Properties

Compound Nameethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
PubChem CID51957752
Molecular FormulaC27H32N2O3
Molecular Weight432.56 g/mol
Exact Mass432.24
IUPAC Nameethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
SMILESCCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C27H32N2O3/c1-2-32-27(31)18-24(20-8-4-3-5-9-20)21-14-16-29(17-15-21)26(30)13-12-22-19-28-25-11-7-6-10-23(22)25/h3-11,19,21,24,28H,2,12-18H2,1H3/t24-/m0/s1
InChIKeyLUVCOTKBWWQARX-DEOSSOPVSA-N
XLogP5.08
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.56
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate with MolForge

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Related Compounds

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CID 35512444
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1-(3-hydroxy-4-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
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1-(3-amino-5-methylpiperidin-1-yl)-3-(1H-indol-3-yl)propan-1-one
CID 79989530
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 134023907
3-(1H-indol-3-yl)-1-[4-[(S)-(4-methylphenyl)-phenylmethyl]piperazin-4-ium-1-yl]propan-1-one
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3-(1H-indol-3-yl)-1-[3-(methoxymethyl)pyrrolidin-1-yl]propan-1-one
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3-(1H-indol-3-yl)-1-[4-[(R)-(4-methoxyphenyl)-phenylmethyl]piperazin-4-ium-1-yl]propan-1-one
CID 6989848
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
3-(1H-indol-3-yl)-1-[4-[1-[methyl(pyridin-4-ylmethyl)amino]-2-phenylethyl]piperidin-1-yl]propan-1-one
CID 45212669
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate?
The IUPAC name of ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate (CID 51957752) is ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate.
What is the SMILES notation for ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate?
The canonical SMILES for ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate is CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate?
The InChIKey is LUVCOTKBWWQARX-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H32N2O3/c1-2-32-27(31)18-24(20-8-4-3-5-9-20)21-14-16-29(17-15-21)26(30)13-12-22-19-28-25-11-7-6-10-23(22)25/h3-11,19,21,24,28H,2,12-18H2,1H3/t24-/m0/s1.
What are the key properties of ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate?
ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate has a molecular weight of 432.56 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate is sourced from PubChem (CID 51957752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).