3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one

C15H21NO2 — CID 114054354

IUPAC3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1cccnc1C(=O)CCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-14-8-5-11-16-15(14)13(17)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyJNOSLZZVTKYSSM-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds5

About 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one

3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one (PubChem CID 114054354) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
PubChem CID114054354
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one
SMILESCOc1cccnc1C(=O)CCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-14-8-5-11-16-15(14)13(17)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyJNOSLZZVTKYSSM-UHFFFAOYSA-N
XLogP3.63
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
CID 114192802
3-cyclopentyl-1-(3-methoxy-4-methylphenyl)propan-1-one
CID 114192912
4-cyclopentyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800308
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
1-(6,7-dimethoxyisoquinolin-1-yl)-3-piperidin-4-ylpropan-1-one;hydrochloride
CID 24843580
2-cyclohexyl-1-(3-ethyl-2-pyridinyl)ethanone
CID 82729797
N-(3-cyclopentylpropyl)-3-methoxypyridin-2-amine
CID 114137239
3-cyclopentyl-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 43474035
1-(5-bromo-2-methoxyphenyl)-3-cyclopentylpropan-1-one
CID 43339908
N-(2-cyclohexylethyl)-3-hydroxypyridine-2-carboxamide
CID 54861320
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one (CID 114054354) is 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one is COc1cccnc1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one?
The InChIKey is JNOSLZZVTKYSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-14-8-5-11-16-15(14)13(17)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3.
What are the key properties of 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one?
3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one has a molecular weight of 247.34 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-(3-methoxy-2-pyridinyl)propan-1-one is sourced from PubChem (CID 114054354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).