ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate

C20H24N2O4 — CID 84553269

IUPACethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCC(=O)n2ccc3ccccc32)C1
InChIInChI=1S/C20H24N2O4/c1-2-26-20(25)16-7-5-12-21(14-16)18(23)9-10-19(24)22-13-11-15-6-3-4-8-17(15)22/h3-4,6,8,11,13,16H,2,5,7,9-10,12,14H2,1H3
InChIKeyVDAHGUQYAPCDGZ-UHFFFAOYSA-N
MW356.42 g/mol
LogP2.86
Rot. Bonds5

About ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate

ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate (PubChem CID 84553269) has the molecular formula C20H24N2O4 and a molecular weight of 356.42 g/mol. Its IUPAC name is ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
PubChem CID84553269
Molecular FormulaC20H24N2O4
Molecular Weight356.42 g/mol
Exact Mass356.17
IUPAC Nameethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCC(=O)n2ccc3ccccc32)C1
InChIInChI=1S/C20H24N2O4/c1-2-26-20(25)16-7-5-12-21(14-16)18(23)9-10-19(24)22-13-11-15-6-3-4-8-17(15)22/h3-4,6,8,11,13,16H,2,5,7,9-10,12,14H2,1H3
InChIKeyVDAHGUQYAPCDGZ-UHFFFAOYSA-N
XLogP2.86
TPSA68.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.42
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-4-carboxylate
CID 84551886
ethyl 1-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoyl]piperidine-3-carboxylate
CID 84565211
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540
ethyl 1-(3-chloropropanoyl)piperidine-3-carboxylate
CID 24700551
ethyl 1-[4-(4-ethylphenyl)-4-oxobutanoyl]piperidine-3-carboxylate
CID 78782505
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230
ethyl 1-[2-(1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)acetyl]piperidine-3-carboxylate
CID 20884665
ethyl 1-hexanoylpiperidine-3-carboxylate
CID 43409441
ethyl (3R)-1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-3-carboxylate
CID 40512693
ethyl 1-[2-(2-methylphenyl)sulfanylacetyl]piperidine-3-carboxylate
CID 78785099
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
ethyl 1-[2-[[2-(1-oxoisoquinolin-2-yl)acetyl]amino]acetyl]piperidine-3-carboxylate
CID 3237335

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate (CID 84553269) is ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCC(=O)n2ccc3ccccc32)C1.
What is the InChIKey of ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate?
The InChIKey is VDAHGUQYAPCDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O4/c1-2-26-20(25)16-7-5-12-21(14-16)18(23)9-10-19(24)22-13-11-15-6-3-4-8-17(15)22/h3-4,6,8,11,13,16H,2,5,7,9-10,12,14H2,1H3.
What are the key properties of ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate?
ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate has a molecular weight of 356.42 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-indol-1-yl-4-oxobutanoyl)piperidine-3-carboxylate is sourced from PubChem (CID 84553269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).