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

C22H25N3O4 — CID 7780766

IUPAC[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H25N3O4/c26-20(16-29-21(27)15-23-22(28)17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,28)(H,24,26)
InChIKeyVBKLQMBERUPMSC-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.59
Rot. Bonds7

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

[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate (PubChem CID 7780766) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate.

Molecular Properties

Compound Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
PubChem CID7780766
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate
SMILESO=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1
InChIInChI=1S/C22H25N3O4/c26-20(16-29-21(27)15-23-22(28)17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,28)(H,24,26)
InChIKeyVBKLQMBERUPMSC-UHFFFAOYSA-N
XLogP2.59
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyrrolidin-1-ylanilino)ethyl] 3-phenylpropanoate
CID 26747020
methyl 4-[[2-(2-benzamidoacetyl)oxyacetyl]amino]benzoate
CID 7783383
[2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl] 2-[(3-methoxybenzoyl)amino]acetate
CID 16625061
N-[2-[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethoxy]phenyl]benzamide
CID 67124692
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-hydroxybenzoate
CID 7378641
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625515
[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 2-benzamidoacetate
CID 4797469
[2-[4-(azepan-1-yl)anilino]-2-oxoethyl] 3-fluorobenzoate
CID 9198592
4-benzoyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 7999170
[2-oxo-2-(4-pyrrolidin-1-ylanilino)ethyl] 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55426324
[2-(3-acetylanilino)-2-oxoethyl] 2-benzamidoacetate
CID 2625469
N-[2-oxo-2-(3-pyrrolidin-1-ylanilino)ethyl]benzamide
CID 110667684

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate?
The IUPAC name of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate (CID 7780766) is [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate.
What is the SMILES notation for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate?
The canonical SMILES for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate is O=C(COC(=O)CNC(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1.
What is the InChIKey of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate?
The InChIKey is VBKLQMBERUPMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c26-20(16-29-21(27)15-23-22(28)17-7-3-1-4-8-17)24-18-9-11-19(12-10-18)25-13-5-2-6-14-25/h1,3-4,7-12H,2,5-6,13-16H2,(H,23,28)(H,24,26).
What are the key properties of [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate?
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate has a molecular weight of 395.46 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 2-benzamidoacetate is sourced from PubChem (CID 7780766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).