5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide

C20H27N5O — CID 109272774

IUPAC5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-16(2)12-23-20(26)18-13-22-19(14-21-18)25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3,(H,23,26)
InChIKeyZWUWJWQAZCFMPB-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.18
Rot. Bonds6

About 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide

5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide (PubChem CID 109272774) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
PubChem CID109272774
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide
SMILESCC(C)CNC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1
InChIInChI=1S/C20H27N5O/c1-16(2)12-23-20(26)18-13-22-19(14-21-18)25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3,(H,23,26)
InChIKeyZWUWJWQAZCFMPB-UHFFFAOYSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-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

[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
azepan-1-yl-[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]methanone
CID 109285483
5-(4-benzylpiperazin-1-yl)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109285493
2-(4-benzylpiperazin-1-yl)-5-methylpyrazine
CID 67976848
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(2,3-dihydroindol-1-yl)methanone
CID 109285489
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
4-(4-benzylpiperazine-1-carbonyl)-N-(2-methylpropyl)benzamide
CID 109043879
5-(4-ethylpiperazin-1-yl)-N-propan-2-ylpyrazine-2-carboxamide
CID 109271173
N-(3-methylbutyl)-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276630
5-(4-ethylpiperazin-1-yl)-N-[(4-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109278578
6-(4-benzylpiperazin-1-yl)-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109154403

Frequently Asked Questions

What is the IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The IUPAC name of 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide (CID 109272774) is 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The canonical SMILES for 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide is CC(C)CNC(=O)c1cnc(N2CCN(Cc3ccccc3)CC2)cn1.
What is the InChIKey of 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
The InChIKey is ZWUWJWQAZCFMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-16(2)12-23-20(26)18-13-22-19(14-21-18)25-10-8-24(9-11-25)15-17-6-4-3-5-7-17/h3-7,13-14,16H,8-12,15H2,1-2H3,(H,23,26).
What are the key properties of 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide?
5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-benzylpiperazin-1-yl)-N-(2-methylpropyl)pyrazine-2-carboxamide is sourced from PubChem (CID 109272774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).