N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide

C14H18N4O3 — CID 107434723

IUPACN-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CNC(=O)CN2)ccc1C
InChIInChI=1S/C14H18N4O3/c1-8-3-4-10(5-11(8)17-9(2)19)18-14(21)12-6-16-13(20)7-15-12/h3-5,12,15H,6-7H2,1-2H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyBSFSUGXSPSORHL-UHFFFAOYSA-N
MW290.32 g/mol
LogP-0.02
Rot. Bonds3

About N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide

N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107434723) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107434723
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC NameN-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCC(=O)Nc1cc(NC(=O)C2CNC(=O)CN2)ccc1C
InChIInChI=1S/C14H18N4O3/c1-8-3-4-10(5-11(8)17-9(2)19)18-14(21)12-6-16-13(20)7-15-12/h3-5,12,15H,6-7H2,1-2H3,(H,16,20)(H,17,19)(H,18,21)
InChIKeyBSFSUGXSPSORHL-UHFFFAOYSA-N
XLogP-0.02
TPSA99.33 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 5-0.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107436239
N-(4-hydroxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434569
N-(1,3-dioxoisoindol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107433664
N-(3-hydroxy-4-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107434576
N-(4-chloro-3-methoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107621868
N-[4-(dimethylcarbamoyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434210
N-(4-methyl-1H-pyrazol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107437536
N-(4-ethoxyphenyl)-5-oxopiperazine-2-carboxamide
CID 107433377
N-(3-fluoro-4-nitrophenyl)-5-oxopiperazine-2-carboxamide
CID 107437353
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[3-(methoxymethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107434107

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide (CID 107434723) is N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide is CC(=O)Nc1cc(NC(=O)C2CNC(=O)CN2)ccc1C.
What is the InChIKey of N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is BSFSUGXSPSORHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-8-3-4-10(5-11(8)17-9(2)19)18-14(21)12-6-16-13(20)7-15-12/h3-5,12,15H,6-7H2,1-2H3,(H,16,20)(H,17,19)(H,18,21).
What are the key properties of N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide?
N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 290.32 g/mol, XLogP of -0.02, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107434723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).