N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide

C13H17N3O3 — CID 107434896

IUPACN-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17N3O3/c1-8-3-4-9(11(5-8)19-2)16-13(18)10-6-15-12(17)7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyVSYWIJNZNQLUCW-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.03
Rot. Bonds3

About N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide

N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434896) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434896
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC NameN-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H17N3O3/c1-8-3-4-9(11(5-8)19-2)16-13(18)10-6-15-12(17)7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyVSYWIJNZNQLUCW-UHFFFAOYSA-N
XLogP0.03
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methyl-2-propoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434865
N-(2-methoxy-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78981643
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
(2S)-N-(2-methoxy-4-methylphenyl)pyrrolidine-2-carboxamide
CID 61178330
N-(2-ethoxy-4-fluorophenyl)-5-oxopiperazine-2-carboxamide
CID 107434659
N-(2-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433395
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
CID 63102179
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
3-chloro-4-[(5-oxopiperazine-2-carbonyl)amino]benzoic acid
CID 107436673

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide (CID 107434896) is N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide is COc1cc(C)ccc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is VSYWIJNZNQLUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-3-4-9(11(5-8)19-2)16-13(18)10-6-15-12(17)7-14-10/h3-5,10,14H,6-7H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).