3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide

C17H25FN2O2 — CID 47758109

IUPAC3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NC(C)Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-3-22-15-8-6-10-20(12-15)17(21)19-13(2)11-14-7-4-5-9-16(14)18/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyJLJVUIJHOBLIRZ-UHFFFAOYSA-N
MW308.40 g/mol
LogP2.97
Rot. Bonds5

About 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide

3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide (PubChem CID 47758109) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
PubChem CID47758109
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide
SMILESCCOC1CCCN(C(=O)NC(C)Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-3-22-15-8-6-10-20(12-15)17(21)19-13(2)11-14-7-4-5-9-16(14)18/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3,(H,19,21)
InChIKeyJLJVUIJHOBLIRZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?
The IUPAC name of 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide (CID 47758109) is 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?
The canonical SMILES for 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide is CCOC1CCCN(C(=O)NC(C)Cc2ccccc2F)C1.
What is the InChIKey of 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?
The InChIKey is JLJVUIJHOBLIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-3-22-15-8-6-10-20(12-15)17(21)19-13(2)11-14-7-4-5-9-16(14)18/h4-5,7,9,13,15H,3,6,8,10-12H2,1-2H3,(H,19,21).
What are the key properties of 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide?
3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide has a molecular weight of 308.40 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-[1-(2-fluorophenyl)propan-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 47758109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).