1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid

C15H23N3O2 — CID 65417525

IUPAC1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-5-15(14(19)20)6-8-18(9-7-15)13-12(3)16-10-11(2)17-13/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyLFGMLSBMRCTYAF-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.56
Rot. Bonds4

About 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid

1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid (PubChem CID 65417525) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
PubChem CID65417525
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid
SMILESCCCC1(C(=O)O)CCN(c2nc(C)cnc2C)CC1
InChIInChI=1S/C15H23N3O2/c1-4-5-15(14(19)20)6-8-18(9-7-15)13-12(3)16-10-11(2)17-13/h10H,4-9H2,1-3H3,(H,19,20)
InChIKeyLFGMLSBMRCTYAF-UHFFFAOYSA-N
XLogP2.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S,4S)-1-(3,6-dimethylpyrazin-2-yl)-3-hydroxy-4-propylpiperidine-4-carboxylic acid
CID 134705270
1-(3-cyano-6-methyl-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126361
(3R)-3-(cyclopropylmethyl)-1-(3,6-dimethylpyrazin-2-yl)piperidine-3-carboxylic acid
CID 97109969
1-(3-cyano-2-pyridinyl)-4-propylpiperidine-4-carboxylic acid
CID 63126206
[1-(3,6-dimethylpyrazin-2-yl)-4-(2-phenylethyl)piperidin-4-yl]methanol
CID 56747896
1-(4-cyanopyridazin-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 80508592
1-(1-methyl-4-nitropyrazol-3-yl)-4-propylpiperidine-4-carboxylic acid
CID 103079316
1-[(2-methylpyrimidin-4-yl)methyl]-4-propylpiperidine-4-carboxylic acid
CID 115529610
1-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)-4-propylpiperidine-4-carboxylic acid
CID 65270420
1-(5-methyl-3-nitro-2-pyridinyl)-3-propylpyrrolidine-3-carboxylic acid
CID 66278923
1-(6-methyl-2-propan-2-ylpyrimidin-4-yl)-3-propylpyrrolidine-3-carboxylic acid
CID 63147210
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 133468891

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid (CID 65417525) is 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid is CCCC1(C(=O)O)CCN(c2nc(C)cnc2C)CC1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid?
The InChIKey is LFGMLSBMRCTYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-4-5-15(14(19)20)6-8-18(9-7-15)13-12(3)16-10-11(2)17-13/h10H,4-9H2,1-3H3,(H,19,20).
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid?
1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid has a molecular weight of 277.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-4-propylpiperidine-4-carboxylic acid is sourced from PubChem (CID 65417525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).