cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

C17H26N4O — CID 133468891

IUPACcyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyVIKGUSGXKJRCAJ-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.32
Rot. Bonds2

About cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone

cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (PubChem CID 133468891) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
PubChem CID133468891
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Namecyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
SMILESCc1cnc(C)c(N2CCN(C(=O)C3CCCCC3)CC2)n1
InChIInChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3
InChIKeyVIKGUSGXKJRCAJ-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,3S,4S)-4-amino-3-hydroxycyclohexyl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone;dihydrochloride
CID 155941155
1-cyclopentyl-5-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]piperidin-2-one
CID 45213447
1-tert-butyl-4-[4-(3,6-dimethylpyrazin-2-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 70720048
cyclopentyl-[4-(2,5,6-trimethylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 814901
cyclohexyl-[4-(6-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 108755282
cyclohexyl-[4-(4-methyl-1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 110710911
3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl-[1-(3,6-dimethylpyrazin-2-yl)pyrrolidin-3-yl]methanone
CID 175648087
(2R)-2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]-1-pyrrolidin-1-ylpropan-1-one
CID 124752724
[(2S)-1-benzylpyrrolidin-2-yl]-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone
CID 91771469
cyclopentyl-[4-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 50944669
1-[2-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]ethyl]azepane
CID 171910200
1-(3,6-dimethylpyrazin-2-yl)piperidine-4-carbaldehyde
CID 65419285

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The IUPAC name of cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone (CID 133468891) is cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is Cc1cnc(C)c(N2CCN(C(=O)C3CCCCC3)CC2)n1.
What is the InChIKey of cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
The InChIKey is VIKGUSGXKJRCAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-13-12-18-14(2)16(19-13)20-8-10-21(11-9-20)17(22)15-6-4-3-5-7-15/h12,15H,3-11H2,1-2H3.
What are the key properties of cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone?
cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone has a molecular weight of 302.42 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 133468891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).