N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

C18H23N5O — CID 18146820

IUPACN-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5O/c1-14-3-4-16(11-15(14)2)21-18(24)13-22-7-9-23(10-8-22)17-12-19-5-6-20-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24)
InChIKeyQQPWEZDREOSFHO-UHFFFAOYSA-N
MW325.42 g/mol
LogP1.85
Rot. Bonds4

About N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide

N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (PubChem CID 18146820) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
PubChem CID18146820
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
SMILESCc1ccc(NC(=O)CN2CCN(c3cnccn3)CC2)cc1C
InChIInChI=1S/C18H23N5O/c1-14-3-4-16(11-15(14)2)21-18(24)13-22-7-9-23(10-8-22)17-12-19-5-6-20-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24)
InChIKeyQQPWEZDREOSFHO-UHFFFAOYSA-N
XLogP1.85
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167910
N-(3-methoxyphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167873
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146864
N-(3-chloro-4-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146818
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146876
N-(3-fluoro-4-methylphenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)acetamide
CID 4566699
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(5-chloro-2-fluorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18146893
N-(2-chlorophenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide
CID 18167877
N-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
N-(3,4-dimethylphenyl)-2-(4-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 80701697
2-[4-[(3,4-dichlorophenyl)methyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 22194789

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide (CID 18146820) is N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is Cc1ccc(NC(=O)CN2CCN(c3cnccn3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
The InChIKey is QQPWEZDREOSFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-14-3-4-16(11-15(14)2)21-18(24)13-22-7-9-23(10-8-22)17-12-19-5-6-20-17/h3-6,11-12H,7-10,13H2,1-2H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide?
N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide has a molecular weight of 325.42 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-(4-pyrazin-2-ylpiperazin-1-yl)acetamide is sourced from PubChem (CID 18146820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).