(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone

C16H24N2O2 — CID 115796981

IUPAC(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCCCC1CCC(C(=O)c2nccnc2OC)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)14-16(20-2)18-11-10-17-14/h10-13H,3-9H2,1-2H3
InChIKeyXUUUZSUXTLPBFD-UHFFFAOYSA-N
MW276.38 g/mol
LogP3.66
Rot. Bonds6

About (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone

(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone (PubChem CID 115796981) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone.

Molecular Properties

Compound Name(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
PubChem CID115796981
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone
SMILESCCCCC1CCC(C(=O)c2nccnc2OC)CC1
InChIInChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)14-16(20-2)18-11-10-17-14/h10-13H,3-9H2,1-2H3
InChIKeyXUUUZSUXTLPBFD-UHFFFAOYSA-N
XLogP3.66
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-butylcyclohexyl)-(4-methoxyphenyl)methanone
CID 43160491
(3-methoxypyrazin-2-yl)-(oxolan-3-yl)methanone
CID 104514951
6-bicyclo[3.1.0]hexanyl-(3-methoxypyrazin-2-yl)methanone
CID 115797296
(4-butylcyclohexyl)-(2-ethoxyphenyl)methanone
CID 114971124
(4-methoxyphenyl) 4-(4-butylcyclohexyl)cyclohexane-1-carboxylate
CID 23334967
(4-butylcyclohexyl)-(4-iodophenyl)methanone
CID 43338206
1-(4-butylcyclohexyl)-2-methoxyethanone
CID 115783287
[4-(4-butylcyclohexanecarbonyl)oxyphenyl] 4-butylcyclohexane-1-carboxylate
CID 3093754
(3-methoxypyrazin-2-yl)-(oxolan-2-yl)methanone
CID 104514950
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
2,2-diethoxy-1-(3-methoxypyrazin-2-yl)ethanone
CID 104515007
(3-bromo-5-methylthiophen-2-yl)-(4-butylcyclohexyl)methanone
CID 65279638

Frequently Asked Questions

What is the IUPAC name of (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The IUPAC name of (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone (CID 115796981) is (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone.
What is the SMILES notation for (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The canonical SMILES for (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone is CCCCC1CCC(C(=O)c2nccnc2OC)CC1.
What is the InChIKey of (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
The InChIKey is XUUUZSUXTLPBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-4-5-12-6-8-13(9-7-12)15(19)14-16(20-2)18-11-10-17-14/h10-13H,3-9H2,1-2H3.
What are the key properties of (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone?
(4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-butylcyclohexyl)-(3-methoxypyrazin-2-yl)methanone is sourced from PubChem (CID 115796981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).