[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate

C20H20Cl2N2O3 — CID 7665105

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H20Cl2N2O3/c21-15-10-14(11-16(22)12-15)20(26)27-13-19(25)23-17-4-6-18(7-5-17)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9,13H2,(H,23,25)
InChIKeySRIQRWQGXJGTKM-UHFFFAOYSA-N
MW407.30 g/mol
LogP4.78
Rot. Bonds5

About [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate (PubChem CID 7665105) has the molecular formula C20H20Cl2N2O3 and a molecular weight of 407.30 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
PubChem CID7665105
Molecular FormulaC20H20Cl2N2O3
Molecular Weight407.30 g/mol
Exact Mass406.09
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
SMILESO=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H20Cl2N2O3/c21-15-10-14(11-16(22)12-15)20(26)27-13-19(25)23-17-4-6-18(7-5-17)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9,13H2,(H,23,25)
InChIKeySRIQRWQGXJGTKM-UHFFFAOYSA-N
XLogP4.78
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.30
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9483570
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dichlorobenzoate
CID 7857974
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-hydroxybenzoate
CID 7378641
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 8845504
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate
CID 9198592
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-methoxybenzoate
CID 7378841
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 4-cyanobenzoate
CID 2334927
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 1,3-benzodioxole-5-carboxylate
CID 2496074
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 1,3-benzodioxole-5-carboxylate
CID 9201384
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-fluoro-4-methylbenzoate
CID 40678642
[2-(4-bromoanilino)-2-oxoethyl] 3,5-dichlorobenzoate
CID 7724337
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
CID 7870792

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate (CID 7665105) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate is O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate?
The InChIKey is SRIQRWQGXJGTKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O3/c21-15-10-14(11-16(22)12-15)20(26)27-13-19(25)23-17-4-6-18(7-5-17)24-8-2-1-3-9-24/h4-7,10-12H,1-3,8-9,13H2,(H,23,25).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate has a molecular weight of 407.30 g/mol, XLogP of 4.78, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate is sourced from PubChem (CID 7665105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).