ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate

C17H20N2O3 — CID 83972080

IUPACethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3[nH]cc(C=O)c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)12-5-7-19(8-6-12)14-3-4-16-15(9-14)13(11-20)10-18-16/h3-4,9-12,18H,2,5-8H2,1H3
InChIKeyZQJFIXWNMGJJJM-UHFFFAOYSA-N
MW300.36 g/mol
LogP2.76
Rot. Bonds4

About ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate

ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate (PubChem CID 83972080) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
PubChem CID83972080
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Nameethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2ccc3[nH]cc(C=O)c3c2)CC1
InChIInChI=1S/C17H20N2O3/c1-2-22-17(21)12-5-7-19(8-6-12)14-3-4-16-15(9-14)13(11-20)10-18-16/h3-4,9-12,18H,2,5-8H2,1H3
InChIKeyZQJFIXWNMGJJJM-UHFFFAOYSA-N
XLogP2.76
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-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

tert-butyl 4-(3-formyl-1H-indol-5-yl)piperazine-1-carboxylate
CID 83972107
ethyl 1-(3-aminophenyl)piperidine-4-carboxylate
CID 22060555
ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate
CID 83972224
ethyl 1-(3-aminosulfanylphenyl)piperidine-4-carboxylate
CID 167520133
ethyl 1-(2-cyano-4-pyridinyl)piperidine-4-carboxylate
CID 62492327
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205
ethyl 1-[1-(3-chlorophenyl)piperidine-4-carbonyl]piperidine-4-carboxylate
CID 17152941
(4-ethoxycarbonylpiperidin-1-yl) 3-(4-chlorobutyl)-1H-indole-5-carboxylate
CID 67818038
ethyl 1-[9-hydroxy-9-(trifluoromethyl)fluoren-2-yl]piperidine-4-carboxylate
CID 59493152
ethyl 1-[2-(5-formylfuran-2-yl)phenyl]piperidine-4-carboxylate
CID 169336252
ethyl 1-[4-(4-amino-1,3,6-trioxopyrrolo[3,4-c]pyridin-5-yl)phenyl]piperidine-4-carboxylate
CID 169329409
ethyl 1-[4-(1H-indol-3-yl)butanoyl]piperidine-4-carboxylate
CID 35512444

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate?
The IUPAC name of ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate (CID 83972080) is ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate is CCOC(=O)C1CCN(c2ccc3[nH]cc(C=O)c3c2)CC1.
What is the InChIKey of ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate?
The InChIKey is ZQJFIXWNMGJJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-2-22-17(21)12-5-7-19(8-6-12)14-3-4-16-15(9-14)13(11-20)10-18-16/h3-4,9-12,18H,2,5-8H2,1H3.
What are the key properties of ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate?
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate has a molecular weight of 300.36 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate is sourced from PubChem (CID 83972080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).