[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate

C21H23FN2O4 — CID 11463311

IUPAC[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c1-23-20(25)14-27-21(26)24-12-10-19(11-13-24)28-18-8-4-16(5-9-18)15-2-6-17(22)7-3-15/h2-9,19H,10-14H2,1H3,(H,23,25)
InChIKeyKSNWQNRUKQBQDH-UHFFFAOYSA-N
MW386.42 g/mol
LogP3.22
Rot. Bonds5

About [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate

[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate (PubChem CID 11463311) has the molecular formula C21H23FN2O4 and a molecular weight of 386.42 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate
PubChem CID11463311
Molecular FormulaC21H23FN2O4
Molecular Weight386.42 g/mol
Exact Mass386.16
IUPAC Name[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate
SMILESCNC(=O)COC(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cc2)CC1
InChIInChI=1S/C21H23FN2O4/c1-23-20(25)14-27-21(26)24-12-10-19(11-13-24)28-18-8-4-16(5-9-18)15-2-6-17(22)7-3-15/h2-9,19H,10-14H2,1H3,(H,23,25)
InChIKeyKSNWQNRUKQBQDH-UHFFFAOYSA-N
XLogP3.22
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate (CID 11463311) is [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate is CNC(=O)COC(=O)N1CCC(Oc2ccc(-c3ccc(F)cc3)cc2)CC1.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate?
The InChIKey is KSNWQNRUKQBQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN2O4/c1-23-20(25)14-27-21(26)24-12-10-19(11-13-24)28-18-8-4-16(5-9-18)15-2-6-17(22)7-3-15/h2-9,19H,10-14H2,1H3,(H,23,25).
What are the key properties of [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate?
[2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate has a molecular weight of 386.42 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 4-[4-(4-fluorophenyl)phenoxy]piperidine-1-carboxylate is sourced from PubChem (CID 11463311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).