methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate

C14H17N3O4 — CID 656047

IUPACmethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyBSRCJDLIPLXGAU-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate

methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate (PubChem CID 656047) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
PubChem CID656047
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate
SMILESCOC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyBSRCJDLIPLXGAU-UHFFFAOYSA-N
XLogP0.58
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(4-ethoxyanilino)-2-oxoethyl]-3-oxo-N-phenylpiperazine-1-carboxamide
CID 2981650
methyl 2-[1-(2,6-difluorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 3994011
methyl 2-[1-(indolizine-3-carbonyl)-3-oxopiperazin-2-yl]acetate
CID 162634981
methyl 2-[3-oxo-1-(3-phenylprop-2-enoylcarbamothioyl)piperazin-2-yl]acetate
CID 4927019
methyl 2-[(2S)-3-oxo-1-[(4-phenylbenzoyl)carbamothioyl]piperazin-2-yl]acetate
CID 7393662
methyl 2-[(2S)-1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)acetyl]-3-oxopiperazin-2-yl]acetate
CID 29158977
methyl 2-[(2R)-1-[2-(1H-imidazol-2-yl)benzoyl]-3-oxopiperazin-2-yl]acetate
CID 95192507
methyl 2-[3-oxo-1-[2-(4-phenylmethoxyphenoxy)acetyl]piperazin-2-yl]acetate
CID 47005065
2-[(2R)-1-(2-chloroacetyl)-3-oxopiperazin-2-yl]-N-phenylacetamide
CID 97033684
methyl 2-[(2R)-1-(3,5-dichlorobenzoyl)-3-oxopiperazin-2-yl]acetate
CID 2431498
methyl 3-oxo-3-[3-oxo-2-[2-oxo-2-(3-phenylpropoxy)ethyl]piperazin-1-yl]propanoate
CID 43886925
methyl 2-[(2S)-1-[2-(benzylamino)-2-oxoethyl]-3-oxopiperazin-2-yl]acetate
CID 8560174

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The IUPAC name of methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate (CID 656047) is methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate is COC(=O)CC1C(=O)NCCN1C(=O)Nc1ccccc1.
What is the InChIKey of methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
The InChIKey is BSRCJDLIPLXGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-12(18)9-11-13(19)15-7-8-17(11)14(20)16-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate?
methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate has a molecular weight of 291.31 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-oxo-1-(phenylcarbamoyl)piperazin-2-yl]acetate is sourced from PubChem (CID 656047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).