(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

C12H16ClN3O — CID 103186815

IUPAC(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-14-5-11(13)15-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyTZICXMMMYQYEKW-UHFFFAOYSA-N
MW253.73 g/mol
LogP2.25
Rot. Bonds1

About (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone

(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (PubChem CID 103186815) has the molecular formula C12H16ClN3O and a molecular weight of 253.73 g/mol. Its IUPAC name is (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
PubChem CID103186815
Molecular FormulaC12H16ClN3O
Molecular Weight253.73 g/mol
Exact Mass253.10
IUPAC Name(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
SMILESCC1CC(C)CN(C(=O)c2cncc(Cl)n2)C1
InChIInChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-14-5-11(13)15-10/h4-5,8-9H,3,6-7H2,1-2H3
InChIKeyTZICXMMMYQYEKW-UHFFFAOYSA-N
XLogP2.25
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.73
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 103803161
1-[4-(6-chloropyrazine-2-carbonyl)piperazin-1-yl]ethanone
CID 103186798
(6-chloropyrazin-2-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
CID 106550918
(6-chloropyrazin-2-yl)-(4-ethylpiperidin-1-yl)methanone
CID 106551174
(6-chloropyrazin-2-yl)-thiomorpholin-4-ylmethanone
CID 103187110
(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
2-(6-chloropyrazine-2-carbonyl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 106551618
(6-chloropyrazin-2-yl)-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 103187237
N-[1-(6-chloropyrazine-2-carbonyl)piperidin-4-yl]methanesulfonamide
CID 106550944
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42910146
(6-chloropyrazin-2-yl)-(3,3-difluoroazetidin-1-yl)methanone
CID 146001430

Frequently Asked Questions

What is the IUPAC name of (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The IUPAC name of (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone (CID 103186815) is (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone.
What is the SMILES notation for (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The canonical SMILES for (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is CC1CC(C)CN(C(=O)c2cncc(Cl)n2)C1.
What is the InChIKey of (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
The InChIKey is TZICXMMMYQYEKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O/c1-8-3-9(2)7-16(6-8)12(17)10-4-14-5-11(13)15-10/h4-5,8-9H,3,6-7H2,1-2H3.
What are the key properties of (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone?
(6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone has a molecular weight of 253.73 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrazin-2-yl)-(3,5-dimethylpiperidin-1-yl)methanone is sourced from PubChem (CID 103186815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).