ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate

C18H21FN2O3 — CID 29139436

IUPACethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1
InChIInChI=1S/C18H21FN2O3/c1-2-24-18(23)14-6-8-20(9-7-14)17(22)12-21-10-5-13-3-4-15(19)11-16(13)21/h3-5,10-11,14H,2,6-9,12H2,1H3
InChIKeySPJWXJZAOUVBRN-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.58
Rot. Bonds4

About ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate

ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate (PubChem CID 29139436) has the molecular formula C18H21FN2O3 and a molecular weight of 332.38 g/mol. Its IUPAC name is ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
PubChem CID29139436
Molecular FormulaC18H21FN2O3
Molecular Weight332.38 g/mol
Exact Mass332.15
IUPAC Nameethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1
InChIInChI=1S/C18H21FN2O3/c1-2-24-18(23)14-6-8-20(9-7-14)17(22)12-21-10-5-13-3-4-15(19)11-16(13)21/h3-5,10-11,14H,2,6-9,12H2,1H3
InChIKeySPJWXJZAOUVBRN-UHFFFAOYSA-N
XLogP2.58
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 1-[2-(6-methyl-4-oxoquinolin-1-yl)acetyl]piperidine-4-carboxylate
CID 100742059
ethyl 1-[2-(7-fluoro-4-oxoquinazolin-3-yl)acetyl]piperidine-4-carboxylate
CID 40743560
ethyl 1-[2-(2-oxo-1-pyridinyl)acetyl]piperidine-4-carboxylate
CID 78791788
ethyl 1-[2-(3-fluorophenyl)acetyl]piperidine-4-carboxylate
CID 43404272
ethyl 1-[2-[2-(4-fluorophenyl)pyrrolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 47019473
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
ethyl 1-[3-(3-fluorophenyl)propanoyl]piperidine-4-carboxylate
CID 110675452
ethyl 1-(2-bromo-4-fluorobenzoyl)piperidine-4-carboxylate
CID 28834341
2-(5-fluoroindol-1-yl)-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethanone
CID 167906084
ethyl 1-[2-[4-(2,5-difluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]piperidine-4-carboxylate
CID 55374775
ethyl 1-[2-[(4-fluorobenzoyl)amino]acetyl]piperidine-4-carboxylate
CID 27555474
ethyl 1-(5-fluoro-2-methoxybenzoyl)piperidine-4-carboxylate
CID 110761172

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate (CID 29139436) is ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)Cn2ccc3ccc(F)cc32)CC1.
What is the InChIKey of ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate?
The InChIKey is SPJWXJZAOUVBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3/c1-2-24-18(23)14-6-8-20(9-7-14)17(22)12-21-10-5-13-3-4-15(19)11-16(13)21/h3-5,10-11,14H,2,6-9,12H2,1H3.
What are the key properties of ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate?
ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate has a molecular weight of 332.38 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[2-(6-fluoroindol-1-yl)acetyl]piperidine-4-carboxylate is sourced from PubChem (CID 29139436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).