3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

C13H17N3O3 — CID 53270959

IUPAC3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)c1nccnc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-2-9-5-3-4-8-16(9)12(17)10-11(13(18)19)15-7-6-14-10/h6-7,9H,2-5,8H2,1H3,(H,18,19)
InChIKeyPIVUCPXSEYHEJZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.58
Rot. Bonds3

About 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid

3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (PubChem CID 53270959) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
PubChem CID53270959
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid
SMILESCCC1CCCCN1C(=O)c1nccnc1C(=O)O
InChIInChI=1S/C13H17N3O3/c1-2-9-5-3-4-8-16(9)12(17)10-11(13(18)19)15-7-6-14-10/h6-7,9H,2-5,8H2,1H3,(H,18,19)
InChIKeyPIVUCPXSEYHEJZ-UHFFFAOYSA-N
XLogP1.58
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethylpiperidin-1-yl)-[3-(3-hydroxyprop-1-ynyl)-2-pyridinyl]methanone
CID 107521415
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323
[6-[(2S)-2-ethylpiperidine-1-carbonyl]-2-pyridinyl]-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 40585097
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(4-amino-1-ethylpyrazol-3-yl)-(2-ethylpiperidin-1-yl)methanone
CID 65358510
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
[2-(ethylamino)-3-fluoro-4-pyridinyl]-(2-ethylpiperidin-1-yl)methanone
CID 105384744
[2-(azepan-1-yl)pyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109312558
(2-ethylpiperidin-1-yl)-(4-methyl-3-pyridinyl)methanone
CID 110855901
(2-ethylpyrrolidin-1-yl)-phenylmethanone
CID 20577009
(2-ethylpiperidin-1-yl)-(1,2-oxazol-4-yl)methanone
CID 110855862
(3,4-dichlorophenyl)-[(2S)-2-ethylpiperidin-1-yl]methanone
CID 898025

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid (CID 53270959) is 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is CCC1CCCCN1C(=O)c1nccnc1C(=O)O.
What is the InChIKey of 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
The InChIKey is PIVUCPXSEYHEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-2-9-5-3-4-8-16(9)12(17)10-11(13(18)19)15-7-6-14-10/h6-7,9H,2-5,8H2,1H3,(H,18,19).
What are the key properties of 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid?
3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylpiperidine-1-carbonyl)pyrazine-2-carboxylic acid is sourced from PubChem (CID 53270959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).