methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate

C13H15N3O4 — CID 107433947

IUPACmethyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H15N3O4/c1-20-13(19)8-4-2-3-5-9(8)16-12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIWKHXNTZXRFAA-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.50
Rot. Bonds3

About methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate

methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate (PubChem CID 107433947) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
PubChem CID107433947
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H15N3O4/c1-20-13(19)8-4-2-3-5-9(8)16-12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-7H2,1H3,(H,15,17)(H,16,18)
InChIKeyRIWKHXNTZXRFAA-UHFFFAOYSA-N
XLogP-0.50
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(difluoromethylsulfanyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107433437
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107
methyl 2-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861590
N-[[2-(methoxymethyl)phenyl]methyl]-5-oxopiperazine-2-carboxamide
CID 107434801
N-(6-chloro-2-pyridinyl)-5-oxopiperazine-2-carboxamide
CID 107437364
ethyl 2-[(5-oxopiperazine-2-carbonyl)amino]thiophene-3-carboxylate
CID 107435879
5-oxo-N-(6-oxo-1H-pyridazin-3-yl)piperazine-2-carboxamide
CID 107437746
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434865

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate (CID 107433947) is methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate is COC(=O)c1ccccc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate?
The InChIKey is RIWKHXNTZXRFAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-13(19)8-4-2-3-5-9(8)16-12(18)10-6-15-11(17)7-14-10/h2-5,10,14H,6-7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate?
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate has a molecular weight of 277.28 g/mol, XLogP of -0.50, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate is sourced from PubChem (CID 107433947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).