[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

C23H23ClF2N2O4 — CID 55375713

IUPAC[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF2N2O4/c1-14(15-2-4-17(24)5-3-15)27-21(29)13-32-23(31)16-8-10-28(11-9-16)22(30)19-7-6-18(25)12-20(19)26/h2-7,12,14,16H,8-11,13H2,1H3,(H,27,29)
InChIKeyLWLGFYAQRNMABV-UHFFFAOYSA-N
MW464.90 g/mol
LogP3.89
Rot. Bonds6

About [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (PubChem CID 55375713) has the molecular formula C23H23ClF2N2O4 and a molecular weight of 464.90 g/mol. Its IUPAC name is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.

Molecular Properties

Compound Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
PubChem CID55375713
Molecular FormulaC23H23ClF2N2O4
Molecular Weight464.90 g/mol
Exact Mass464.13
IUPAC Name[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
SMILESCC(NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClF2N2O4/c1-14(15-2-4-17(24)5-3-15)27-21(29)13-32-23(31)16-8-10-28(11-9-16)22(30)19-7-6-18(25)12-20(19)26/h2-7,12,14,16H,8-11,13H2,1H3,(H,27,29)
InChIKeyLWLGFYAQRNMABV-UHFFFAOYSA-N
XLogP3.89
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.90
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(4-fluorobenzoyl)piperidine-4-carboxylate
CID 55309471
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322796
[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2,4-difluorobenzoate
CID 7764132
1-(2,4-difluorobenzoyl)-N-[1-[4-(propanoylamino)phenyl]ethyl]piperidine-4-carboxamide
CID 55655878
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 34776452
1-O-tert-butyl 4-O-[2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-2-oxoethyl] piperidine-1,4-dicarboxylate
CID 8924883
[2-(4-methylphenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 39605391
1-(2,4-difluorobenzoyl)-N-(1-pyridin-4-ylethyl)piperidine-4-carboxamide
CID 24639274
butyl 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 91717484
N-[(4-chlorophenyl)-phenylmethyl]-1-(2,4-difluorobenzoyl)piperidine-4-carboxamide
CID 55376976
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322574
[2-(4-acetamidophenyl)-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate
CID 30322407

Frequently Asked Questions

What is the IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The IUPAC name of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate (CID 55375713) is [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate.
What is the SMILES notation for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The canonical SMILES for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is CC(NC(=O)COC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1.
What is the InChIKey of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
The InChIKey is LWLGFYAQRNMABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClF2N2O4/c1-14(15-2-4-17(24)5-3-15)27-21(29)13-32-23(31)16-8-10-28(11-9-16)22(30)19-7-6-18(25)12-20(19)26/h2-7,12,14,16H,8-11,13H2,1H3,(H,27,29).
What are the key properties of [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate?
[2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate has a molecular weight of 464.90 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(4-chlorophenyl)ethylamino]-2-oxoethyl] 1-(2,4-difluorobenzoyl)piperidine-4-carboxylate is sourced from PubChem (CID 55375713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).