[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C25H28FNO4 — CID 7740015

IUPAC[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c(C)c1C
InChIInChI=1S/C25H28FNO4/c1-15-13-22(18(4)17(3)16(15)2)23(28)14-31-25(30)20-9-11-27(12-10-20)24(29)19-5-7-21(26)8-6-19/h5-8,13,20H,9-12,14H2,1-4H3
InChIKeySIJFLOXYPTXPRK-UHFFFAOYSA-N
MW425.50 g/mol
LogP4.34
Rot. Bonds5

About [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 7740015) has the molecular formula C25H28FNO4 and a molecular weight of 425.50 g/mol. Its IUPAC name is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID7740015
Molecular FormulaC25H28FNO4
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c(C)c1C
InChIInChI=1S/C25H28FNO4/c1-15-13-22(18(4)17(3)16(15)2)23(28)14-31-25(30)20-9-11-27(12-10-20)24(29)19-5-7-21(26)8-6-19/h5-8,13,20H,9-12,14H2,1-4H3
InChIKeySIJFLOXYPTXPRK-UHFFFAOYSA-N
XLogP4.34
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
(2,3,5-trimethylphenyl) 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 32997684
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 4-(4-fluorophenyl)-4-oxobutanoate
CID 7967540
[2-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
ethyl 1-(4-fluoro-2-methylbenzoyl)piperidine-4-carboxylate
CID 110209267
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
[2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7739988
[2-(ethylcarbamoylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740040
[2-oxo-2-(2-oxoimidazolidin-1-yl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740013
4-methylpentyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91712006
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322407

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 7740015) is [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is Cc1cc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)c(C)c(C)c1C.
What is the InChIKey of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is SIJFLOXYPTXPRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FNO4/c1-15-13-22(18(4)17(3)16(15)2)23(28)14-31-25(30)20-9-11-27(12-10-20)24(29)19-5-7-21(26)8-6-19/h5-8,13,20H,9-12,14H2,1-4H3.
What are the key properties of [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 425.50 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 7740015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).