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

C17H23N5O3 — CID 56915886

IUPAC1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-12(2)13-4-9-22(20-13)17(16(23)24)5-10-21(11-6-17)14-15(25-3)19-8-7-18-14/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,23,24)
InChIKeyFICMOWJPCCTOGE-UHFFFAOYSA-N
MW345.40 g/mol
LogP1.89
Rot. Bonds5

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

1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56915886) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56915886
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCOc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1
InChIInChI=1S/C17H23N5O3/c1-12(2)13-4-9-22(20-13)17(16(23)24)5-10-21(11-6-17)14-15(25-3)19-8-7-18-14/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,23,24)
InChIKeyFICMOWJPCCTOGE-UHFFFAOYSA-N
XLogP1.89
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56915886) is 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is COc1nccnc1N1CCC(C(=O)O)(n2ccc(C(C)C)n2)CC1.
What is the InChIKey of 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is FICMOWJPCCTOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12(2)13-4-9-22(20-13)17(16(23)24)5-10-21(11-6-17)14-15(25-3)19-8-7-18-14/h4,7-9,12H,5-6,10-11H2,1-3H3,(H,23,24).
What are the key properties of 1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(3-methoxypyrazin-2-yl)-4-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 345.40 g/mol, XLogP of 1.89, 5 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-(3-propan-2-ylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56915886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).