butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

C19H26N2O5 — CID 9298216

IUPACbutyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1OCC
InChIInChI=1S/C19H26N2O5/c1-3-5-12-26-17(22)13-15-18(23)20-10-11-21(15)19(24)14-8-6-7-9-16(14)25-4-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyJOZLWGTXJMQFMG-OAHLLOKOSA-N
MW362.43 g/mol
LogP1.76
Rot. Bonds8

About butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate

butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 9298216) has the molecular formula C19H26N2O5 and a molecular weight of 362.43 g/mol. Its IUPAC name is butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebutyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID9298216
Molecular FormulaC19H26N2O5
Molecular Weight362.43 g/mol
Exact Mass362.18
IUPAC Namebutyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1OCC
InChIInChI=1S/C19H26N2O5/c1-3-5-12-26-17(22)13-15-18(23)20-10-11-21(15)19(24)14-8-6-7-9-16(14)25-4-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,20,23)/t15-/m1/s1
InChIKeyJOZLWGTXJMQFMG-OAHLLOKOSA-N
XLogP1.76
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate with MolForge

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Related Compounds

propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
decyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122807
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
2-phenoxyethyl 2-[3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 4946675
butyl 2-[1-(2-fluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959194
3-phenylpropyl 2-[1-[2-(2-ethoxyethoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 17122760
pentyl 2-[1-(2-methylbenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17073625
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395
butyl 2-[1-(2-nitrobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 4959143
butyl 2-[1-[[2-(2-methoxyethoxy)benzoyl]carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17356044
decyl 2-[1-(4-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17093920
butyl 2-[(2S)-3-oxo-1-(4-phenylbenzoyl)piperazin-2-yl]acetate
CID 9298063

Frequently Asked Questions

What is the IUPAC name of butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate (CID 9298216) is butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate is CCCCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)c1ccccc1OCC.
What is the InChIKey of butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is JOZLWGTXJMQFMG-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H26N2O5/c1-3-5-12-26-17(22)13-15-18(23)20-10-11-21(15)19(24)14-8-6-7-9-16(14)25-4-2/h6-9,15H,3-5,10-13H2,1-2H3,(H,20,23)/t15-/m1/s1.
What are the key properties of butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 362.43 g/mol, XLogP of 1.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 9298216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).