N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

C22H25N5O — CID 108885668

IUPACN-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4nc(C)c(C)nc4c3)CC2)c1
InChIInChI=1S/C22H25N5O/c1-15-5-4-6-19(13-15)26-9-11-27(12-10-26)22(28)25-18-7-8-20-21(14-18)24-17(3)16(2)23-20/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)
InChIKeyCQTBKKWCPWLBRU-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.91
Rot. Bonds2

About N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide

N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (PubChem CID 108885668) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
PubChem CID108885668
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
SMILESCc1cccc(N2CCN(C(=O)Nc3ccc4nc(C)c(C)nc4c3)CC2)c1
InChIInChI=1S/C22H25N5O/c1-15-5-4-6-19(13-15)26-9-11-27(12-10-26)22(28)25-18-7-8-20-21(14-18)24-17(3)16(2)23-20/h4-8,13-14H,9-12H2,1-3H3,(H,25,28)
InChIKeyCQTBKKWCPWLBRU-UHFFFAOYSA-N
XLogP3.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(3-methylphenyl)-N-(3-pyrrol-1-ylphenyl)piperazine-1-carboxamide
CID 56505268
4-(3-methoxyphenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 16645833
4-(3-methylphenyl)-N-[4-(5-methyltetrazol-1-yl)phenyl]piperazine-1-carboxamide
CID 118761754
N-(6-fluoro-3-methoxyquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244851
N-(3-methoxy-6,7-dimethylquinoxalin-2-yl)-4-(3-methylphenyl)piperazine-1-carboxamide
CID 69244859
4-(3-methylphenyl)-N-(3,4,5-trimethoxyphenyl)piperazine-1-carboxamide
CID 108866738
4-(3-cyanophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 113111248
4-(3-methylphenyl)piperazine-1-carbohydrazide
CID 43163880
N-(3-methylphenyl)-4-(4-piperidin-1-ylphenyl)piperazine-1-carboxamide
CID 113111218
4-(4-chlorophenyl)-N-(3-methylphenyl)piperazine-1-carboxamide
CID 851976
N-(3-methylphenyl)-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108515725
4-(3-methylphenyl)-N-[2-(2-methylpropyl)-1,3-dioxoisoindol-5-yl]piperazine-1-carboxamide
CID 108872673

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide (CID 108885668) is N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is Cc1cccc(N2CCN(C(=O)Nc3ccc4nc(C)c(C)nc4c3)CC2)c1.
What is the InChIKey of N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
The InChIKey is CQTBKKWCPWLBRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-5-4-6-19(13-15)26-9-11-27(12-10-26)22(28)25-18-7-8-20-21(14-18)24-17(3)16(2)23-20/h4-8,13-14H,9-12H2,1-3H3,(H,25,28).
What are the key properties of N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide?
N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylquinoxalin-6-yl)-4-(3-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 108885668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).