ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate

C20H24N4O3 — CID 109004841

IUPACethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)16-7-3-4-8-17(16)22-15-19(25)24-13-11-23(12-14-24)18-9-5-6-10-21-18/h3-10,22H,2,11-15H2,1H3
InChIKeyRWXZRVNLOABZCO-UHFFFAOYSA-N
MW368.44 g/mol
LogP2.02
Rot. Bonds6

About ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate

ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate (PubChem CID 109004841) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate
PubChem CID109004841
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Nameethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NCC(=O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H24N4O3/c1-2-27-20(26)16-7-3-4-8-17(16)22-15-19(25)24-13-11-23(12-14-24)18-9-5-6-10-21-18/h3-10,22H,2,11-15H2,1H3
InChIKeyRWXZRVNLOABZCO-UHFFFAOYSA-N
XLogP2.02
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate with MolForge

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Related Compounds

ethyl N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbamate
CID 112994654
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 47411908
2,2-dimethyl-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]propanamide
CID 78804240
ethyl 2-methyl-5-(4-methylphenyl)-1-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]pyrrole-3-carboxylate
CID 12004856
2-chloro-N-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 7974806
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
ethyl 2-[[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]amino]benzoate
CID 109017613
2-[(4-methylphenyl)methylamino]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108997062
2-(3-acetylanilino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 109004798
2-(3-methoxypropylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108994093

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate (CID 109004841) is ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate is CCOC(=O)c1ccccc1NCC(=O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate?
The InChIKey is RWXZRVNLOABZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-2-27-20(26)16-7-3-4-8-17(16)22-15-19(25)24-13-11-23(12-14-24)18-9-5-6-10-21-18/h3-10,22H,2,11-15H2,1H3.
What are the key properties of ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate?
ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate has a molecular weight of 368.44 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]amino]benzoate is sourced from PubChem (CID 109004841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).