ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate

C20H26N2O3 — CID 35512444

IUPACethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-2-25-20(24)15-10-12-22(13-11-15)19(23)9-5-6-16-14-21-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,21H,2,5-6,9-13H2,1H3
InChIKeyZYBXJJJARZIKCN-UHFFFAOYSA-N
MW342.44 g/mol
LogP3.29
Rot. Bonds6

About ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate

ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate (PubChem CID 35512444) has the molecular formula C20H26N2O3 and a molecular weight of 342.44 g/mol. Its IUPAC name is ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
PubChem CID35512444
Molecular FormulaC20H26N2O3
Molecular Weight342.44 g/mol
Exact Mass342.19
IUPAC Nameethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1
InChIInChI=1S/C20H26N2O3/c1-2-25-20(24)15-10-12-22(13-11-15)19(23)9-5-6-16-14-21-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,21H,2,5-6,9-13H2,1H3
InChIKeyZYBXJJJARZIKCN-UHFFFAOYSA-N
XLogP3.29
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-indol-3-yl)-1-pyrrolidin-1-ylbutan-1-one
CID 18108564
4-(1H-indol-3-yl)-1-(3-methoxypyrrolidin-1-yl)butan-1-one
CID 103536932
ethyl 4-(1H-indol-3-yl)butanoate;hydrochloride
CID 67834075
1-[(3S)-3-aminopyrrolidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 94075010
1-[3-(1H-indol-3-yl)propanoyl]piperidine-4-carboxamide
CID 17408046
ethyl 4-[4-(1H-indol-3-yl)butanoylamino]piperidine-1-carboxylate
CID 51165109
1-(4-anilinopiperidin-1-yl)-4-(1H-indol-3-yl)butan-1-one
CID 47051691
ethyl 10-(1H-indol-3-yl)-7-oxodecanoate
CID 58248748
4-(1H-indol-3-yl)-1-morpholin-4-ylbutan-1-one
CID 645040
1-[3-(1H-indol-3-yl)propanoyl]-N-methylpiperidine-4-carboxamide
CID 30888669
ethyl (3R)-3-[1-[3-(1H-indol-3-yl)propanoyl]piperidin-4-yl]-3-phenylpropanoate
CID 51957752
1-[4-[(dimethylamino)methyl]-4-methoxypiperidin-1-yl]-4-(1H-indol-3-yl)butan-1-one
CID 163318056

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate (CID 35512444) is ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1.
What is the InChIKey of ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate?
The InChIKey is ZYBXJJJARZIKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3/c1-2-25-20(24)15-10-12-22(13-11-15)19(23)9-5-6-16-14-21-18-8-4-3-7-17(16)18/h3-4,7-8,14-15,21H,2,5-6,9-13H2,1H3.
What are the key properties of ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate?
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate has a molecular weight of 342.44 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate is sourced from PubChem (CID 35512444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).