[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C18H22FN3O5 — CID 7740040

IUPAC[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O5/c1-2-20-18(26)21-15(23)11-27-17(25)13-7-9-22(10-8-13)16(24)12-3-5-14(19)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,20,21,23,26)
InChIKeyBMZILNFXCLUVKU-UHFFFAOYSA-N
MW379.39 g/mol
LogP1.07
Rot. Bonds5

About [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 7740040) has the molecular formula C18H22FN3O5 and a molecular weight of 379.39 g/mol. Its IUPAC name is [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID7740040
Molecular FormulaC18H22FN3O5
Molecular Weight379.39 g/mol
Exact Mass379.15
IUPAC Name[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1
InChIInChI=1S/C18H22FN3O5/c1-2-20-18(26)21-15(23)11-27-17(25)13-7-9-22(10-8-13)16(24)12-3-5-14(19)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,20,21,23,26)
InChIKeyBMZILNFXCLUVKU-UHFFFAOYSA-N
XLogP1.07
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322796
[2-(ethylcarbamoylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2627810
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
[2-(ethylcarbamoylamino)-2-oxoethyl] cyclopentanecarboxylate
CID 7717570
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408
[2-[(4-methoxyphenyl)carbamoylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-3-carboxylate
CID 46660896
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015

Frequently Asked Questions

What is the IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 7740040) is [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CCNC(=O)NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2)CC1.
What is the InChIKey of [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is BMZILNFXCLUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FN3O5/c1-2-20-18(26)21-15(23)11-27-17(25)13-7-9-22(10-8-13)16(24)12-3-5-14(19)6-4-12/h3-6,13H,2,7-11H2,1H3,(H2,20,21,23,26).
What are the key properties of [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 379.39 g/mol, XLogP of 1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7740040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).