butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate

C18H24N2O5 — CID 17096892

IUPACbutan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OC
InChIInChI=1S/C18H24N2O5/c1-4-12(2)25-16(21)11-14-17(22)19-9-10-20(14)18(23)13-7-5-6-8-15(13)24-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,22)
InChIKeyOQETUNDQHBTMNY-UHFFFAOYSA-N
MW348.40 g/mol
LogP1.37
Rot. Bonds6

About butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate

butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate (PubChem CID 17096892) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate.

Molecular Properties

Compound Namebutan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
PubChem CID17096892
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namebutan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate
SMILESCCC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OC
InChIInChI=1S/C18H24N2O5/c1-4-12(2)25-16(21)11-14-17(22)19-9-10-20(14)18(23)13-7-5-6-8-15(13)24-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,22)
InChIKeyOQETUNDQHBTMNY-UHFFFAOYSA-N
XLogP1.37
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

butan-2-yl 2-[1-(benzoylcarbamothioyl)-3-oxopiperazin-2-yl]acetate
CID 17097114
3-methylbutyl 2-[1-(2-butoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 17079785
butan-2-yl 2-[1-[2-(2-nitrophenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17096928
butan-2-yl 2-[1-[(3-iodo-4-methoxybenzoyl)carbamothioyl]-3-oxopiperazin-2-yl]acetate
CID 17097109
propyl 2-[(2R)-3-oxo-1-(2-pentoxybenzoyl)piperazin-2-yl]acetate
CID 9232310
butyl 2-[(2R)-1-(2-ethoxybenzoyl)-3-oxopiperazin-2-yl]acetate
CID 9298216
butan-2-yl 2-[3-oxo-1-[2-(4-phenylphenoxy)acetyl]piperazin-2-yl]acetate
CID 17096909
benzyl 2-[1-[2-(2-methylpropoxy)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 4945449
butan-2-yl 2-[1-[2-(2,5-dimethylphenoxy)propanoyl]-3-oxopiperazin-2-yl]acetate
CID 17096908
butan-2-yl 2-[1-(4-chlorobutanoyl)-3-oxopiperazin-2-yl]acetate
CID 54792713
butan-2-yl 2-(3-oxo-1-tetradecanoylpiperazin-2-yl)acetate
CID 54789692
propyl 2-[3-oxo-1-(2-phenylmethoxybenzoyl)piperazin-2-yl]acetate
CID 4946395

Frequently Asked Questions

What is the IUPAC name of butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The IUPAC name of butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate (CID 17096892) is butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate.
What is the SMILES notation for butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The canonical SMILES for butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate is CCC(C)OC(=O)CC1C(=O)NCCN1C(=O)c1ccccc1OC.
What is the InChIKey of butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
The InChIKey is OQETUNDQHBTMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-4-12(2)25-16(21)11-14-17(22)19-9-10-20(14)18(23)13-7-5-6-8-15(13)24-3/h5-8,12,14H,4,9-11H2,1-3H3,(H,19,22).
What are the key properties of butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate?
butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate has a molecular weight of 348.40 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butan-2-yl 2-[1-(2-methoxybenzoyl)-3-oxopiperazin-2-yl]acetate is sourced from PubChem (CID 17096892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).