[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

C23H25FN2O5S — CID 27354643

IUPAC[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C23H25FN2O5S/c1-15(27)25-11-8-19-6-7-21(32-19)20(28)14-31-23(30)17-9-12-26(13-10-17)22(29)16-2-4-18(24)5-3-16/h2-7,17H,8-14H2,1H3,(H,25,27)
InChIKeyBDTYVGPYBFJNMB-UHFFFAOYSA-N
MW460.53 g/mol
LogP2.84
Rot. Bonds8

About [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate

[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (PubChem CID 27354643) has the molecular formula C23H25FN2O5S and a molecular weight of 460.53 g/mol. Its IUPAC name is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
PubChem CID27354643
Molecular FormulaC23H25FN2O5S
Molecular Weight460.53 g/mol
Exact Mass460.15
IUPAC Name[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
SMILESCC(=O)NCCc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1
InChIInChI=1S/C23H25FN2O5S/c1-15(27)25-11-8-19-6-7-21(32-19)20(28)14-31-23(30)17-9-12-26(13-10-17)22(29)16-2-4-18(24)5-3-16/h2-7,17H,8-14H2,1H3,(H,25,27)
InChIKeyBDTYVGPYBFJNMB-UHFFFAOYSA-N
XLogP2.84
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.53
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[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-(cyclopropylamino)-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7360135
[2-oxo-2-(2,3,4,5-tetramethylphenyl)ethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 7740015
butyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 91711955
[2-[bis(2-methylpropyl)amino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309412
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322407
[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-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 1-(2-methylbenzoyl)piperidine-4-carboxylate
CID 7739805
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
3-(4-fluorophenoxy)propyl 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309408

Frequently Asked Questions

What is the IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate (CID 27354643) is [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is CC(=O)NCCc1ccc(C(=O)COC(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)s1.
What is the InChIKey of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is BDTYVGPYBFJNMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O5S/c1-15(27)25-11-8-19-6-7-21(32-19)20(28)14-31-23(30)17-9-12-26(13-10-17)22(29)16-2-4-18(24)5-3-16/h2-7,17H,8-14H2,1H3,(H,25,27).
What are the key properties of [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate?
[2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 460.53 g/mol, XLogP of 2.84, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[5-(2-acetamidoethyl)thiophen-2-yl]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 27354643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).