ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate

C18H22N2O3 — CID 83972224

IUPACethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc3c(c2)c(C=O)cn3C)C1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-5-4-8-20(11-13)15-6-7-17-16(9-15)14(12-21)10-19(17)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyZNSKPIZEFBYSTL-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.77
Rot. Bonds4

About ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate

ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate (PubChem CID 83972224) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate
PubChem CID83972224
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Nameethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(c2ccc3c(c2)c(C=O)cn3C)C1
InChIInChI=1S/C18H22N2O3/c1-3-23-18(22)13-5-4-8-20(11-13)15-6-7-17-16(9-15)14(12-21)10-19(17)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3
InChIKeyZNSKPIZEFBYSTL-UHFFFAOYSA-N
XLogP2.77
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 1-(4-methoxyphenyl)piperidine-3-carboxylate
CID 82537675
ethyl 1-(4-acetylphenyl)piperidine-3-carboxylate
CID 43176930
ethyl 1-(2-methyl-4-pyridinyl)piperidine-3-carboxylate
CID 113482815
ethyl 1-(3-fluoro-4-methoxyphenyl)piperidine-3-carboxylate
CID 82537653
ethyl (3S)-1-[4-amino-3-(trifluoromethyl)phenyl]piperidine-3-carboxylate
CID 59410086
ethyl 1-(6-oxo-1H-pyridazin-4-yl)piperidine-3-carboxylate
CID 91654996
ethyl 1-(6-amino-5-methyl-3-pyridinyl)piperidine-3-carboxylate
CID 83970370
ethyl (3S)-1-(5-ethyl-3-pyridinyl)piperidine-3-carboxylate
CID 169213809
ethyl (3R)-1-(6-formylquinazolin-4-yl)piperidine-3-carboxylate
CID 124514606
ethyl 1-(3-formyl-1H-indol-5-yl)piperidine-4-carboxylate
CID 83972080
ethyl 1-(4-aminonaphthalen-1-yl)piperidine-3-carboxylate
CID 118952705
ethyl 1-(3,4-dimethoxyphenyl)pyrrolidine-3-carboxylate
CID 83981205

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate?
The IUPAC name of ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate (CID 83972224) is ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate is CCOC(=O)C1CCCN(c2ccc3c(c2)c(C=O)cn3C)C1.
What is the InChIKey of ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate?
The InChIKey is ZNSKPIZEFBYSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-3-23-18(22)13-5-4-8-20(11-13)15-6-7-17-16(9-15)14(12-21)10-19(17)2/h6-7,9-10,12-13H,3-5,8,11H2,1-2H3.
What are the key properties of ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate?
ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate has a molecular weight of 314.39 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-formyl-1-methylindol-5-yl)piperidine-3-carboxylate is sourced from PubChem (CID 83972224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).