2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone

C15H21NO2 — CID 116750950

IUPAC2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cncc(C)c1)C1CCCCC1
InChIInChI=1S/C15H21NO2/c1-11-8-13(10-16-9-11)14(17)15(18-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyKBIZNOGSCNZRMY-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.17
Rot. Bonds4

About 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone

2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone (PubChem CID 116750950) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
PubChem CID116750950
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone
SMILESCOC(C(=O)c1cncc(C)c1)C1CCCCC1
InChIInChI=1S/C15H21NO2/c1-11-8-13(10-16-9-11)14(17)15(18-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3
InChIKeyKBIZNOGSCNZRMY-UHFFFAOYSA-N
XLogP3.17
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-cyclopropyl-1-(5-ethoxy-3-pyridinyl)-2-methoxyethanone
CID 116709078
2-cyclopropyl-2-methoxy-1-(5-propoxy-3-pyridinyl)ethanone
CID 116709111
2-cyclohexyl-2-methoxy-1-pyrazin-2-ylethanone
CID 116750925
2-methoxy-3-methyl-1-(5-methyl-3-pyridinyl)butan-1-one
CID 116708503
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
(5-methyl-3-pyridinyl)-(4-propan-2-ylcyclohexyl)methanone
CID 115374008
2-cyclopropyl-2-methoxy-1-(6-methyl-3-pyridinyl)ethanone
CID 116709132
N-[(1R,2R,3R)-2-hydroxy-3-methoxycycloheptyl]-5-methylpyridine-3-carboxamide
CID 110125986
2-cyclohexyl-2-methoxy-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707747
2-cyclopropyl-1-(3,4-dichlorophenyl)-2-methoxyethanone
CID 116708959
3-ethyl-2-hydroxy-1-(5-methyl-3-pyridinyl)pentan-1-one
CID 103458369
2-cyclopropyl-2-ethoxy-1-(5-fluoro-3-pyridinyl)ethanone
CID 116709222

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone (CID 116750950) is 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone is COC(C(=O)c1cncc(C)c1)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone?
The InChIKey is KBIZNOGSCNZRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-8-13(10-16-9-11)14(17)15(18-2)12-6-4-3-5-7-12/h8-10,12,15H,3-7H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone?
2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone has a molecular weight of 247.34 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-methoxy-1-(5-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 116750950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).