(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone

C12H16ClN3O — CID 106551174

IUPAC(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-2-9-3-5-16(6-4-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3
InChIKeyOBKLJOMXASEPAO-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.39
Rot. Bonds2

About (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone (PubChem CID 106551174) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
PubChem CID106551174
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
SMILESCCC1CCN(C(=O)c2cncc(Cl)n2)CC1
InChIInChI=1S/C12H16ClN3O/c1-2-9-3-5-16(6-4-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3
InChIKeyOBKLJOMXASEPAO-UHFFFAOYSA-N
XLogP2.39
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103186815
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
(6-chloropyrazin-2-yl)-(2-ethyl-5-methylpyrrolidin-1-yl)methanone
CID 106551631
(6-chloropyrazin-2-yl)-(1,1-dioxo-1,4-thiazinan-4-yl)methanone
CID 103337443
(6-chloropyrazin-2-yl)-piperazin-1-ylmethanone;hydrochloride
CID 118279345
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyrazin-2-yl)-(3,3-diethylpyrrolidin-1-yl)methanone
CID 106551507
(6-chloropyrazin-2-yl)-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 106550933
(6-chloropyrazin-2-yl)-(4-prop-2-ynylpiperazin-1-yl)methanone
CID 106551233

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone (CID 106551174) is (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone is CCC1CCN(C(=O)c2cncc(Cl)n2)CC1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone?
The InChIKey is OBKLJOMXASEPAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-2-9-3-5-16(6-4-9)12(17)10-7-14-8-11(13)15-10/h7-9H,2-6H2,1H3.
What are the key properties of (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone is sourced from PubChem (CID 106551174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).