ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate

C18H25FN2O3 — CID 8561619

IUPACethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C18H25FN2O3/c1-2-24-18(23)15-7-5-11-21(12-15)13-17(22)20-10-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyQTZQLVQLWAZACB-OAHLLOKOSA-N
MW336.41 g/mol
LogP1.76
Rot. Bonds7

About ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate

ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate (PubChem CID 8561619) has the molecular formula C18H25FN2O3 and a molecular weight of 336.41 g/mol. Its IUPAC name is ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
PubChem CID8561619
Molecular FormulaC18H25FN2O3
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Nameethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(CC(=O)NCCc2ccccc2F)C1
InChIInChI=1S/C18H25FN2O3/c1-2-24-18(23)15-7-5-11-21(12-15)13-17(22)20-10-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyQTZQLVQLWAZACB-OAHLLOKOSA-N
XLogP1.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate (CID 8561619) is ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(CC(=O)NCCc2ccccc2F)C1.
What is the InChIKey of ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate?
The InChIKey is QTZQLVQLWAZACB-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25FN2O3/c1-2-24-18(23)15-7-5-11-21(12-15)13-17(22)20-10-9-14-6-3-4-8-16(14)19/h3-4,6,8,15H,2,5,7,9-13H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate?
ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate has a molecular weight of 336.41 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[2-[2-(2-fluorophenyl)ethylamino]-2-oxoethyl]piperidine-3-carboxylate is sourced from PubChem (CID 8561619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).