4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

C20H22FN3O3 — CID 44578176

IUPAC4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3F)CC2)c1
InChIInChI=1S/C20H22FN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQGEFEAUYOGYRNF-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.26
Rot. Bonds4

About 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide

4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (PubChem CID 44578176) has the molecular formula C20H22FN3O3 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
PubChem CID44578176
Molecular FormulaC20H22FN3O3
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide
SMILESCNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3F)CC2)c1
InChIInChI=1S/C20H22FN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26)
InChIKeyQGEFEAUYOGYRNF-UHFFFAOYSA-N
XLogP3.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The IUPAC name of 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide (CID 44578176) is 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide.
What is the SMILES notation for 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The canonical SMILES for 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is CNC(=O)c1cccc(NC(=O)N2CCC(Oc3ccccc3F)CC2)c1.
What is the InChIKey of 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
The InChIKey is QGEFEAUYOGYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O3/c1-22-19(25)14-5-4-6-15(13-14)23-20(26)24-11-9-16(10-12-24)27-18-8-3-2-7-17(18)21/h2-8,13,16H,9-12H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide?
4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide has a molecular weight of 371.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenoxy)-N-[3-(methylcarbamoyl)phenyl]piperidine-1-carboxamide is sourced from PubChem (CID 44578176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).