N-(2,4-dimethylphenyl)piperazine-2-carboxamide

C13H19N3O — CID 55178030

IUPACN-(2,4-dimethylphenyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CNCCN2)c(C)c1
InChIInChI=1S/C13H19N3O/c1-9-3-4-11(10(2)7-9)16-13(17)12-8-14-5-6-15-12/h3-4,7,12,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZODVAWJJHUTXKR-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.80
Rot. Bonds2

About N-(2,4-dimethylphenyl)piperazine-2-carboxamide

N-(2,4-dimethylphenyl)piperazine-2-carboxamide (PubChem CID 55178030) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)piperazine-2-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)piperazine-2-carboxamide
PubChem CID55178030
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC NameN-(2,4-dimethylphenyl)piperazine-2-carboxamide
SMILESCc1ccc(NC(=O)C2CNCCN2)c(C)c1
InChIInChI=1S/C13H19N3O/c1-9-3-4-11(10(2)7-9)16-13(17)12-8-14-5-6-15-12/h3-4,7,12,14-15H,5-6,8H2,1-2H3,(H,16,17)
InChIKeyZODVAWJJHUTXKR-UHFFFAOYSA-N
XLogP0.80
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxy-5-methylphenyl)piperazine-2-carboxamide
CID 63102179
N-(2,4-dimethylphenyl)-4-hydroxypyrrolidine-2-carboxamide
CID 43120810
N-(2,4-dimethylphenyl)cyclopropanecarboxamide
CID 5066654
N-(2,4-dimethylphenyl)-2-methylpyrrolidine-3-carboxamide
CID 79383626
N-(4-acetamidophenyl)piperazine-2-carboxamide
CID 63103626
(2S)-N-(2-chloro-4-methylphenyl)pyrrolidine-2-carboxamide
CID 28881291
N-(2-methyl-6-propan-2-ylphenyl)piperazine-2-carboxamide
CID 63104160
N-(4-fluorophenyl)piperazine-2-carboxamide
CID 63103447
(2S)-N-(2-bromo-4-methylphenyl)pyrrolidine-2-carboxamide
CID 22691461
N-(4-iodo-2-methylphenyl)-4-methylpiperidine-2-carboxamide
CID 114423070
N-(2,4-dimethylphenyl)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66471167
cis-(1S,2R)-2-[(2,4-dimethylphenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 93344028

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)piperazine-2-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)piperazine-2-carboxamide (CID 55178030) is N-(2,4-dimethylphenyl)piperazine-2-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)piperazine-2-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)piperazine-2-carboxamide is Cc1ccc(NC(=O)C2CNCCN2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)piperazine-2-carboxamide?
The InChIKey is ZODVAWJJHUTXKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-3-4-11(10(2)7-9)16-13(17)12-8-14-5-6-15-12/h3-4,7,12,14-15H,5-6,8H2,1-2H3,(H,16,17).
What are the key properties of N-(2,4-dimethylphenyl)piperazine-2-carboxamide?
N-(2,4-dimethylphenyl)piperazine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.80, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)piperazine-2-carboxamide is sourced from PubChem (CID 55178030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).