[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate

C20H22N2O5 — CID 7870792

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O5/c23-16-8-9-17(18(24)12-16)20(26)27-13-19(25)21-14-4-6-15(7-5-14)22-10-2-1-3-11-22/h4-9,12,23-24H,1-3,10-11,13H2,(H,21,25)
InChIKeySEPLCFPTWRLURX-UHFFFAOYSA-N
MW370.41 g/mol
LogP2.88
Rot. Bonds5

About [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate (PubChem CID 7870792) has the molecular formula C20H22N2O5 and a molecular weight of 370.41 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
PubChem CID7870792
Molecular FormulaC20H22N2O5
Molecular Weight370.41 g/mol
Exact Mass370.15
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate
SMILESO=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C20H22N2O5/c23-16-8-9-17(18(24)12-16)20(26)27-13-19(25)21-14-4-6-15(7-5-14)22-10-2-1-3-11-22/h4-9,12,23-24H,1-3,10-11,13H2,(H,21,25)
InChIKeySEPLCFPTWRLURX-UHFFFAOYSA-N
XLogP2.88
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[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-bromoanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536586
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,5-dimethylthiophene-3-carboxylate
CID 7594118
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,4-dimethoxybenzoate
CID 9203566
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3,5-dichlorobenzoate
CID 7665105
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3,4-difluorobenzoate
CID 9483570
[2-(3,4-dimethylanilino)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 2536650
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 2,6-difluorobenzoate
CID 9203360
[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-piperidin-1-ylethyl) 2,4-dihydroxybenzoate
CID 2537018

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate (CID 7870792) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate is O=C(COC(=O)c1ccc(O)cc1O)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate?
The InChIKey is SEPLCFPTWRLURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O5/c23-16-8-9-17(18(24)12-16)20(26)27-13-19(25)21-14-4-6-15(7-5-14)22-10-2-1-3-11-22/h4-9,12,23-24H,1-3,10-11,13H2,(H,21,25).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate has a molecular weight of 370.41 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2,4-dihydroxybenzoate is sourced from PubChem (CID 7870792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).