3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one

C15H21NO2 — CID 64906550

IUPAC3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
SMILESCOc1c(C)cnc(CC2CCC(=O)C2C)c1C
InChIInChI=1S/C15H21NO2/c1-9-8-16-13(11(3)15(9)18-4)7-12-5-6-14(17)10(12)2/h8,10,12H,5-7H2,1-4H3
InChIKeyWFRNKTNZJCHKLH-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.86
Rot. Bonds3

About 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one (PubChem CID 64906550) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one.

Molecular Properties

Compound Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
PubChem CID64906550
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one
SMILESCOc1c(C)cnc(CC2CCC(=O)C2C)c1C
InChIInChI=1S/C15H21NO2/c1-9-8-16-13(11(3)15(9)18-4)7-12-5-6-14(17)10(12)2/h8,10,12H,5-7H2,1-4H3
InChIKeyWFRNKTNZJCHKLH-UHFFFAOYSA-N
XLogP2.86
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one with MolForge

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Related Compounds

3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-ol
CID 64910537
2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentan-1-ol
CID 55125071
4-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-amine
CID 83261268
N-[[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]methyl]cyclopropanamine
CID 81026993
2-(azetidin-3-ylmethyl)-4-methoxy-3,5-dimethylpyridine
CID 79452625
2-[(2-chloro-5-propan-2-ylcyclohexyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 63471290
2-[(3-bromocycloheptyl)methyl]-4-methoxy-3,5-dimethylpyridine
CID 64507176
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-pyrrolidin-2-ylethanone
CID 116547474
1-cyclopropyl-4-(4-methoxy-3,5-dimethyl-2-pyridinyl)butan-1-one
CID 64503130
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-amine
CID 63278062
4-methoxy-3,5-dimethyl-2-[2-(oxiran-2-yl)ethyl]pyridine
CID 115410537
1-(3-bicyclo[3.1.0]hexanyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanone
CID 114968264

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one?
The IUPAC name of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one (CID 64906550) is 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one.
What is the SMILES notation for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one?
The canonical SMILES for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one is COc1c(C)cnc(CC2CCC(=O)C2C)c1C.
What is the InChIKey of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one?
The InChIKey is WFRNKTNZJCHKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-9-8-16-13(11(3)15(9)18-4)7-12-5-6-14(17)10(12)2/h8,10,12H,5-7H2,1-4H3.
What are the key properties of 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one?
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one has a molecular weight of 247.34 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-methylcyclopentan-1-one is sourced from PubChem (CID 64906550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).