1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C15H19N5O3 — CID 56918673

IUPAC1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2cc(C)cn2)CC1
InChIInChI=1S/C15H19N5O3/c1-11-9-18-20(10-11)15(14(21)22)3-7-19(8-4-15)12-13(23-2)17-6-5-16-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyGTMDOCOPOUODIS-UHFFFAOYSA-N
MW317.35 g/mol
LogP1.07
Rot. Bonds4

About 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56918673) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56918673
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2cc(C)cn2)CC1
InChIInChI=1S/C15H19N5O3/c1-11-9-18-20(10-11)15(14(21)22)3-7-19(8-4-15)12-13(23-2)17-6-5-16-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22)
InChIKeyGTMDOCOPOUODIS-UHFFFAOYSA-N
XLogP1.07
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408
1-(3-methoxypyrazin-2-yl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56897273
1-{6-[(dimethylamino)carbonyl]pyrazin-2-yl}-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56899930
1-(4-amino-5-methylpyrimidin-2-yl)-4-(1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56901181
4-(4-methyl-1H-pyrazol-1-yl)-1-[(1-propyl-1H-imidazol-2-yl)methyl]piperidine-4-carboxylic acid
CID 56904677
4-(3-isopropyl-1H-pyrazol-1-yl)-1-(3-methoxypyrazin-2-yl)piperidine-4-carboxylic acid
CID 56915886
4-(4-Methylpyrazol-1-yl)-1-(3-pyrrolidin-1-ylpyrazin-2-yl)piperidine-4-carboxylic acid
CID 70716617
2-[(6-Methoxypyrazin-2-yl)amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 113279578

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56918673) is 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is COc1nccnc1N1CCC(C(=O)O)(n2cc(C)cn2)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is GTMDOCOPOUODIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-11-9-18-20(10-11)15(14(21)22)3-7-19(8-4-15)12-13(23-2)17-6-5-16-12/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,21,22).
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 317.35 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypyrazin-2-yl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56918673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).