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

C13H19N3O3 — CID 107070362

IUPAC1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCCn1ccnc(N2CCCC(C)C2C(=O)O)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-15-8-6-14-11(12(15)17)16-7-4-5-9(2)10(16)13(18)19/h6,8-10H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyTZXWMYYOQHUMKC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.95
Rot. Bonds3

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

1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid (PubChem CID 107070362) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
PubChem CID107070362
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
SMILESCCn1ccnc(N2CCCC(C)C2C(=O)O)c1=O
InChIInChI=1S/C13H19N3O3/c1-3-15-8-6-14-11(12(15)17)16-7-4-5-9(2)10(16)13(18)19/h6,8-10H,3-5,7H2,1-2H3,(H,18,19)
InChIKeyTZXWMYYOQHUMKC-UHFFFAOYSA-N
XLogP0.95
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-tert-butyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid
CID 107070229
3-(3-chloropiperidin-1-yl)-1-ethylpyrazin-2-one
CID 63392087
3-[2-(3-bromopropyl)pyrrolidin-1-yl]-1-ethylpyrazin-2-one
CID 80680246
3-[2-(bromomethyl)azepan-1-yl]-1-ethylpyrazin-2-one
CID 116638803
1-isoquinolin-1-yl-3-methylpiperidine-2-carboxylic acid
CID 107070279
3-[2-(2-bromoethyl)piperidin-1-yl]-1-ethylpyrazin-2-one
CID 80670295
3-[5-(aminomethyl)-2-methylpiperidin-1-yl]-1-ethylpyrazin-2-one
CID 62927501
1-ethyl-3-[4-(methylamino)piperidin-1-yl]pyrazin-2-one
CID 62939421
1-ethyl-3-[2-[1-(ethylamino)ethyl]piperidin-1-yl]pyrazin-2-one
CID 63854758
3-(3-aminopyrrolidin-1-yl)-1-ethylpyrazin-2-one
CID 62928142
1-(3-methoxycarbonyl-2-pyridinyl)-3-methylpiperidine-2-carboxylic acid
CID 107070379
3-(2,6-dimethylmorpholin-4-yl)-1-ethylpyrazin-2-one
CID 133446960

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The IUPAC name of 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid (CID 107070362) is 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid.
What is the SMILES notation for 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The canonical SMILES for 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid is CCn1ccnc(N2CCCC(C)C2C(=O)O)c1=O.
What is the InChIKey of 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
The InChIKey is TZXWMYYOQHUMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-3-15-8-6-14-11(12(15)17)16-7-4-5-9(2)10(16)13(18)19/h6,8-10H,3-5,7H2,1-2H3,(H,18,19).
What are the key properties of 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid?
1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethyl-3-oxopyrazin-2-yl)-3-methylpiperidine-2-carboxylic acid is sourced from PubChem (CID 107070362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).