ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate

C17H23FN2O3 — CID 39709187

IUPACethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-23-17(22)20-11-8-14(9-12-20)16(21)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,21)
InChIKeyGPTNQJMXQKCQDS-UHFFFAOYSA-N
MW322.38 g/mol
LogP2.35
Rot. Bonds5

About ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate

ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate (PubChem CID 39709187) has the molecular formula C17H23FN2O3 and a molecular weight of 322.38 g/mol. Its IUPAC name is ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
PubChem CID39709187
Molecular FormulaC17H23FN2O3
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Nameethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1
InChIInChI=1S/C17H23FN2O3/c1-2-23-17(22)20-11-8-14(9-12-20)16(21)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,21)
InChIKeyGPTNQJMXQKCQDS-UHFFFAOYSA-N
XLogP2.35
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-[(2-fluorophenyl)methylcarbamoyl]piperidine-1-carboxylate
CID 26241437
1-acetyl-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 9268566
1-(cyclopropanecarbonyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 39713860
1-(2,2-dimethylpropanoyl)-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 51181932
1-N-cyclopropyl-4-N-[2-(2-fluorophenyl)ethyl]piperidine-1,4-dicarboxamide
CID 113004650
N-[2-(2-fluorophenyl)ethyl]-1-(3-methylsulfanylpropanoyl)piperidine-4-carboxamide
CID 55778984
1-[3-(4-ethylphenyl)propanoyl]-N-[2-(2-fluorophenyl)ethyl]piperidine-4-carboxamide
CID 55778891
N-[2-(2-fluorophenyl)ethyl]-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145613
N-[2-(2-fluorophenyl)ethyl]-1-(4-phenoxybenzoyl)piperidine-4-carboxamide
CID 55779298
N-[2-(2-fluorophenyl)ethyl]-1-propylsulfonylpiperidine-4-carboxamide
CID 113004651
N-[2-(2-fluorophenyl)ethyl]-1-[2-(trifluoromethylsulfanyl)acetyl]piperidine-4-carboxamide
CID 55779186
N-[2-(2-fluorophenyl)ethyl]cyclohexanecarboxamide
CID 78792132

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate (CID 39709187) is ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate is CCOC(=O)N1CCC(C(=O)NCCc2ccccc2F)CC1.
What is the InChIKey of ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
The InChIKey is GPTNQJMXQKCQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O3/c1-2-23-17(22)20-11-8-14(9-12-20)16(21)19-10-7-13-5-3-4-6-15(13)18/h3-6,14H,2,7-12H2,1H3,(H,19,21).
What are the key properties of ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate?
ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate has a molecular weight of 322.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-(2-fluorophenyl)ethylcarbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 39709187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).