4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

C22H25N5O2 — CID 23446362

IUPAC4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)14-17(13-15)26-8-10-27(11-9-26)22(28)25-20-21(29-3)24-19-7-5-4-6-18(19)23-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,28)
InChIKeyVUGPAVZLAQRHCV-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.61
Rot. Bonds3

About 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide

4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (PubChem CID 23446362) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
PubChem CID23446362
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC Name4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide
SMILESCOc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1
InChIInChI=1S/C22H25N5O2/c1-15-12-16(2)14-17(13-15)26-8-10-27(11-9-26)22(28)25-20-21(29-3)24-19-7-5-4-6-18(19)23-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,28)
InChIKeyVUGPAVZLAQRHCV-UHFFFAOYSA-N
XLogP3.61
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The IUPAC name of 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide (CID 23446362) is 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is COc1nc2ccccc2nc1NC(=O)N1CCN(c2cc(C)cc(C)c2)CC1.
What is the InChIKey of 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
The InChIKey is VUGPAVZLAQRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-15-12-16(2)14-17(13-15)26-8-10-27(11-9-26)22(28)25-20-21(29-3)24-19-7-5-4-6-18(19)23-20/h4-7,12-14H,8-11H2,1-3H3,(H,23,25,28).
What are the key properties of 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide?
4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide has a molecular weight of 391.48 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylphenyl)-N-(3-methoxyquinoxalin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 23446362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).