1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid

C15H23N3O3 — CID 107070229

IUPAC1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(c2nccn(C(C)(C)C)c2=O)C1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-6-5-8-17(11(10)14(20)21)12-13(19)18(9-7-16-12)15(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,20,21)
InChIKeySCQMDEUMBDIFGC-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.69
Rot. Bonds2

About 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid

1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107070229) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107070229
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCC1CCCN(c2nccn(C(C)(C)C)c2=O)C1C(=O)O
InChIInChI=1S/C15H23N3O3/c1-10-6-5-8-17(11(10)14(20)21)12-13(19)18(9-7-16-12)15(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,20,21)
InChIKeySCQMDEUMBDIFGC-UHFFFAOYSA-N
XLogP1.69
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid (CID 107070229) is 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid is CC1CCCN(c2nccn(C(C)(C)C)c2=O)C1C(=O)O.
What is the InChIKey of 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is SCQMDEUMBDIFGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-10-6-5-8-17(11(10)14(20)21)12-13(19)18(9-7-16-12)15(2,3)4/h7,9-11H,5-6,8H2,1-4H3,(H,20,21).
What are the key properties of 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 293.37 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).