5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid

C18H21N5O3 — CID 122053119

IUPAC5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H21N5O3/c1-21(13-14-5-3-2-4-6-14)18(26)23-9-7-22(8-10-23)16-12-19-15(11-20-16)17(24)25/h2-6,11-12H,7-10,13H2,1H3,(H,24,25)
InChIKeyBAPOBFNSPFFUDX-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.55
Rot. Bonds4

About 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid

5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid (PubChem CID 122053119) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
PubChem CID122053119
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid
SMILESCN(Cc1ccccc1)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1
InChIInChI=1S/C18H21N5O3/c1-21(13-14-5-3-2-4-6-14)18(26)23-9-7-22(8-10-23)16-12-19-15(11-20-16)17(24)25/h2-6,11-12H,7-10,13H2,1H3,(H,24,25)
InChIKeyBAPOBFNSPFFUDX-UHFFFAOYSA-N
XLogP1.55
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid 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-[2-[benzyl(methyl)amino]ethyl]piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122053623
5-(azepan-1-yl)-N-benzyl-N-methylpyrazine-2-carboxamide
CID 109281067
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-ethylpiperazin-1-yl)methanone
CID 109278450
N-benzyl-N-methyl-4-(3-methylphenyl)piperazine-1-carboxamide
CID 108988839
5-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-2-carboxamide
CID 109187351
5-[4-(2,2-dimethylpropanoyl)piperazin-1-yl]pyrazine-2-carboxylic acid
CID 122047688
5-(4-benzyl-3,3-dimethylpiperazin-1-yl)pyrazine-2-carboxylic acid
CID 122048029
[5-(4-benzylpiperazin-1-yl)pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 109278104
4-[(2R)-2-aminopropanoyl]-N-benzyl-N-methylpiperazine-1-carboxamide;hydrochloride
CID 119296596
5-(4-methylpiperazin-1-yl)pyrazine-2-carboxylic acid;dihydrochloride
CID 170916735
5-(azetidin-1-yl)pyrazine-2-carboxylic acid
CID 117102504
4-(5-amino-2-pyridinyl)-N-ethyl-N-methylpiperazine-1-carboxamide
CID 79159197

Frequently Asked Questions

What is the IUPAC name of 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid (CID 122053119) is 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid is CN(Cc1ccccc1)C(=O)N1CCN(c2cnc(C(=O)O)cn2)CC1.
What is the InChIKey of 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
The InChIKey is BAPOBFNSPFFUDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21(13-14-5-3-2-4-6-14)18(26)23-9-7-22(8-10-23)16-12-19-15(11-20-16)17(24)25/h2-6,11-12H,7-10,13H2,1H3,(H,24,25).
What are the key properties of 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid?
5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid has a molecular weight of 355.40 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[benzyl(methyl)carbamoyl]piperazin-1-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122053119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).