(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone

C13H19N3O — CID 42910146

IUPAC(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC(C)CC(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-9-4-10(2)8-16(7-9)13(17)12-6-14-11(3)5-15-12/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyDCXYBKRFASEWPF-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.90
Rot. Bonds1

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

(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone (PubChem CID 42910146) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone.

Molecular Properties

Compound Name(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
PubChem CID42910146
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone
SMILESCc1cnc(C(=O)N2CC(C)CC(C)C2)cn1
InChIInChI=1S/C13H19N3O/c1-9-4-10(2)8-16(7-9)13(17)12-6-14-11(3)5-15-12/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyDCXYBKRFASEWPF-UHFFFAOYSA-N
XLogP1.90
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.90
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
(3,5-dimethylpiperazin-1-yl)-(5-methylpyrazin-2-yl)methanone;dihydrochloride
CID 119564341
(5-methylpyrazin-2-yl)-[4-(1,2,4-triazol-4-yl)piperidin-1-yl]methanone
CID 86284339
(4-amino-6-methyl-3-pyridinyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 81235790
cyclopentyl-[4-(5-methylpyrazine-2-carbonyl)piperazin-1-yl]methanone
CID 38390846
[(3aR,6aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[2,3-c]pyrrol-5-yl]-(5-methylpyrazin-2-yl)methanone
CID 97377160
(3S)-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboxylic acid
CID 30082310
(5-methylpyrazin-2-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 30547276
(3,5-dimethylpiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 51072597
(3,5-dimethylpiperidin-1-yl)-(1,3-thiazol-4-yl)methanone
CID 63038082
N'-hydroxy-1-(5-methylpyrazine-2-carbonyl)piperidine-3-carboximidamide
CID 77041745
methyl 6-(3,5-dimethylpiperidine-1-carbonyl)pyridine-3-carboxylate
CID 42945586

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The IUPAC name of (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone (CID 42910146) is (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone.
What is the SMILES notation for (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The canonical SMILES for (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone is Cc1cnc(C(=O)N2CC(C)CC(C)C2)cn1.
What is the InChIKey of (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
The InChIKey is DCXYBKRFASEWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-4-10(2)8-16(7-9)13(17)12-6-14-11(3)5-15-12/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone?
(3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone has a molecular weight of 233.31 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylpiperidin-1-yl)-(5-methylpyrazin-2-yl)methanone is sourced from PubChem (CID 42910146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).