(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate

C16H19BrN2O4 — CID 35661902

IUPAC(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H19BrN2O4/c17-13-6-4-5-12(9-13)16(22)18-10-15(21)23-11-14(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H,18,22)
InChIKeyTYOKWTKUVJVLKB-UHFFFAOYSA-N
MW383.24 g/mol
LogP1.73
Rot. Bonds5

About (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate

(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate (PubChem CID 35661902) has the molecular formula C16H19BrN2O4 and a molecular weight of 383.24 g/mol. Its IUPAC name is (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate.

Molecular Properties

Compound Name(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
PubChem CID35661902
Molecular FormulaC16H19BrN2O4
Molecular Weight383.24 g/mol
Exact Mass382.05
IUPAC Name(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate
SMILESO=C(CNC(=O)c1cccc(Br)c1)OCC(=O)N1CCCCC1
InChIInChI=1S/C16H19BrN2O4/c17-13-6-4-5-12(9-13)16(22)18-10-15(21)23-11-14(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H,18,22)
InChIKeyTYOKWTKUVJVLKB-UHFFFAOYSA-N
XLogP1.73
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[2-[(3-bromobenzoyl)amino]acetyl]oxyacetyl]piperidine-4-carboxylate
CID 46791831
[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 31228874
[2-(2-methylpiperidin-1-yl)-2-oxoethyl] 2-[(3-bromobenzoyl)amino]acetate
CID 55320566
[2-(azepan-1-yl)-2-oxoethyl] 3-bromobenzoate
CID 23990780
(2-oxo-2-piperidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 8921487
ethyl 4-[2-[2-[(3-methylbenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 9363783
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenylbenzoyl)amino]acetate
CID 2417351
[2-(azocan-1-yl)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate
CID 9348238
(2-oxo-2-pyrrolidin-1-ylethyl) 2-[(4-phenoxybenzoyl)amino]acetate
CID 8790353
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3-bromobenzamide
CID 51161836
(2-morpholin-4-yl-2-oxoethyl) 2-[(3-fluorobenzoyl)amino]acetate
CID 2548453
ethyl 4-[2-[2-[(4-bromobenzoyl)amino]acetyl]oxyacetyl]piperazine-1-carboxylate
CID 29461635

Frequently Asked Questions

What is the IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The IUPAC name of (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate (CID 35661902) is (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate.
What is the SMILES notation for (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The canonical SMILES for (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate is O=C(CNC(=O)c1cccc(Br)c1)OCC(=O)N1CCCCC1.
What is the InChIKey of (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate?
The InChIKey is TYOKWTKUVJVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O4/c17-13-6-4-5-12(9-13)16(22)18-10-15(21)23-11-14(20)19-7-2-1-3-8-19/h4-6,9H,1-3,7-8,10-11H2,(H,18,22).
What are the key properties of (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate?
(2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate has a molecular weight of 383.24 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-2-piperidin-1-ylethyl) 2-[(3-bromobenzoyl)amino]acetate is sourced from PubChem (CID 35661902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).