ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate

C19H23FN2O3 — CID 31896980

IUPACethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C19H23FN2O3/c1-3-25-19(24)13-6-8-22(9-7-13)18(23)11-15-12(2)21-17-5-4-14(20)10-16(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3
InChIKeyAWHYHLPIIXLUOS-UHFFFAOYSA-N
MW346.40 g/mol
LogP2.96
Rot. Bonds4

About ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate (PubChem CID 31896980) has the molecular formula C19H23FN2O3 and a molecular weight of 346.40 g/mol. Its IUPAC name is ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
PubChem CID31896980
Molecular FormulaC19H23FN2O3
Molecular Weight346.40 g/mol
Exact Mass346.17
IUPAC Nameethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC1
InChIInChI=1S/C19H23FN2O3/c1-3-25-19(24)13-6-8-22(9-7-13)18(23)11-15-12(2)21-17-5-4-14(20)10-16(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3
InChIKeyAWHYHLPIIXLUOS-UHFFFAOYSA-N
XLogP2.96
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.40
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate (CID 31896980) is ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC1.
What is the InChIKey of ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is AWHYHLPIIXLUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O3/c1-3-25-19(24)13-6-8-22(9-7-13)18(23)11-15-12(2)21-17-5-4-14(20)10-16(15)17/h4-5,10,13,21H,3,6-9,11H2,1-2H3.
What are the key properties of ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 346.40 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(5-fluoro-2-methyl-1H-indol-3-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 31896980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).