N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide

C13H14N4O2 — CID 107436239

IUPACN-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9(5-14)4-10(8)17-13(19)11-6-16-12(18)7-15-11/h2-4,11,15H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyWNTIDGHXHNBLEE-UHFFFAOYSA-N
MW258.28 g/mol
LogP-0.11
Rot. Bonds2

About N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide

N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide (PubChem CID 107436239) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
PubChem CID107436239
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC NameN-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide
SMILESCc1ccc(C#N)cc1NC(=O)C1CNC(=O)CN1
InChIInChI=1S/C13H14N4O2/c1-8-2-3-9(5-14)4-10(8)17-13(19)11-6-16-12(18)7-15-11/h2-4,11,15H,6-7H2,1H3,(H,16,18)(H,17,19)
InChIKeyWNTIDGHXHNBLEE-UHFFFAOYSA-N
XLogP-0.11
TPSA94.02 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamido-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434723
N-(5-cyano-2-methylphenyl)-4-ethylpiperidine-2-carboxamide
CID 114428897
N-(5-cyano-2-methylphenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779307
N-(2-methoxy-4-methylphenyl)-5-oxopiperazine-2-carboxamide
CID 107434896
N-[4-methyl-3-(trifluoromethyl)phenyl]-5-oxopiperazine-2-carboxamide
CID 107436129
(3S)-N-(5-cyano-2-methylphenyl)piperidine-3-carboxamide
CID 81139836
N-(4-methyl-1H-pyrazol-5-yl)-5-oxopiperazine-2-carboxamide
CID 107437536
N-(4-cyanophenyl)-N-methyl-5-oxopiperazine-2-carboxamide
CID 107436389
methyl 2-[(5-oxopiperazine-2-carbonyl)amino]benzoate
CID 107433947
N-(2-hydroxy-5-methylsulfonylphenyl)-5-oxopiperazine-2-carboxamide
CID 107437267
methyl N-(5-cyano-2-methylphenyl)carbamate
CID 62065723
N-(5-methyl-1H-pyrazol-3-yl)-5-oxopiperazine-2-carboxamide
CID 107436577

Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide?
The IUPAC name of N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide (CID 107436239) is N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide.
What is the SMILES notation for N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide?
The canonical SMILES for N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide is Cc1ccc(C#N)cc1NC(=O)C1CNC(=O)CN1.
What is the InChIKey of N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide?
The InChIKey is WNTIDGHXHNBLEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-2-3-9(5-14)4-10(8)17-13(19)11-6-16-12(18)7-15-11/h2-4,11,15H,6-7H2,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide?
N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide has a molecular weight of 258.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-2-methylphenyl)-5-oxopiperazine-2-carboxamide is sourced from PubChem (CID 107436239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).