1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

C16H19N5O3 — CID 56905249

IUPAC1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C)cn3)CC2)c1
InChIInChI=1S/C16H19N5O3/c1-11-7-19-21(10-11)16(15(23)24)3-5-20(6-4-16)14(22)13-9-17-12(2)8-18-13/h7-10H,3-6H2,1-2H3,(H,23,24)
InChIKeyGWOXOTKHZWXAQA-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.01
Rot. Bonds3

About 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid

1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (PubChem CID 56905249) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
PubChem CID56905249
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid
SMILESCc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C)cn3)CC2)c1
InChIInChI=1S/C16H19N5O3/c1-11-7-19-21(10-11)16(15(23)24)3-5-20(6-4-16)14(22)13-9-17-12(2)8-18-13/h7-10H,3-6H2,1-2H3,(H,23,24)
InChIKeyGWOXOTKHZWXAQA-UHFFFAOYSA-N
XLogP1.01
TPSA101.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(1-Methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyrazin-2-ylmethanone
CID 118739644
[9-[(1-Methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone
CID 118746670
[9-[(1-Methylpyrazol-4-yl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746669
[8-[(1-Methylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155828227
6-Methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155828567
6-Methyl-9-(1-methylpyrazol-4-yl)-2-(pyrazine-2-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one;2,2,2-trifluoroacetic acid
CID 155833824
[9-[(1-Methylpyrazol-4-yl)methyl]-3,9-diazaspiro[5.5]undecan-3-yl]-pyrazin-2-ylmethanone;2,2,2-trifluoroacetic acid
CID 155847837
8-(5-Methylpyrazine-2-carbonyl)-2-(1-methylpyrazol-4-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 97449946
6-Methyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131643447
6-Acetyl-2-(5-methylpyrazine-2-carbonyl)-9-(1-methylpyrazol-4-yl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 131651175
(5-Methylpyrazin-2-yl)-[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 56779002
1-[6-(aminocarbonyl)pyrazin-2-yl]-4-(4-methyl-1H-pyrazol-1-yl)piperidine-4-carboxylic acid
CID 56885408

Frequently Asked Questions

What is the IUPAC name of 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid (CID 56905249) is 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is Cc1cnn(C2(C(=O)O)CCN(C(=O)c3cnc(C)cn3)CC2)c1.
What is the InChIKey of 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
The InChIKey is GWOXOTKHZWXAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c1-11-7-19-21(10-11)16(15(23)24)3-5-20(6-4-16)14(22)13-9-17-12(2)8-18-13/h7-10H,3-6H2,1-2H3,(H,23,24).
What are the key properties of 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid?
1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid has a molecular weight of 329.36 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylpyrazine-2-carbonyl)-4-(4-methylpyrazol-1-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 56905249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).