(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone

C12H17N3O — CID 86981201

IUPAC(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
SMILESCCC1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C12H17N3O/c1-2-10-4-3-7-15(9-10)12(16)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyYZSSFSPRKHAEBD-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.74
Rot. Bonds2

About (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone

(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone (PubChem CID 86981201) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone.

Molecular Properties

Compound Name(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
PubChem CID86981201
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone
SMILESCCC1CCCN(C(=O)c2cnccn2)C1
InChIInChI=1S/C12H17N3O/c1-2-10-4-3-7-15(9-10)12(16)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3
InChIKeyYZSSFSPRKHAEBD-UHFFFAOYSA-N
XLogP1.74
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-[2-(dimethylamino)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95828473
[(3S)-3-[(3-aminopyrazin-2-yl)methyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 124988875
[(3R)-3-(methylamino)piperidin-1-yl]-pyrazin-2-ylmethanone
CID 94475780
tert-butyl N-[[(3S)-1-(pyrazine-2-carbonyl)piperidin-3-yl]methyl]carbamate
CID 94824268
1-(pyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 16776959
[(3S)-3-[2-(4-fluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95532367
(3-aminopyrrolidin-1-yl)-pyrazin-2-ylmethanone;hydrochloride
CID 71644274
4-(3-ethylpiperidine-1-carbonyl)pyridine-2-carboxylic acid
CID 112700662
(3-ethylpiperidin-1-yl)-(5-hydrazinylpyrazin-2-yl)methanone
CID 107378136
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-pyrazin-2-ylmethanone
CID 115746589
[(3R)-3-[2-(2,6-difluorophenyl)ethyl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 26318399

Frequently Asked Questions

What is the IUPAC name of (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone?
The IUPAC name of (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone (CID 86981201) is (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone.
What is the SMILES notation for (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone?
The canonical SMILES for (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone is CCC1CCCN(C(=O)c2cnccn2)C1.
What is the InChIKey of (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone?
The InChIKey is YZSSFSPRKHAEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-2-10-4-3-7-15(9-10)12(16)11-8-13-5-6-14-11/h5-6,8,10H,2-4,7,9H2,1H3.
What are the key properties of (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone?
(3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone has a molecular weight of 219.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylpiperidin-1-yl)-pyrazin-2-ylmethanone is sourced from PubChem (CID 86981201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).