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

C15H21NO2 — CID 114192802

IUPAC3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ncccc1C(=O)CCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15-13(8-5-11-16-15)14(17)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyFUCPSTRMADTTRO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.63
Rot. Bonds5

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

3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one (PubChem CID 114192802) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
PubChem CID114192802
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one
SMILESCOc1ncccc1C(=O)CCC1CCCCC1
InChIInChI=1S/C15H21NO2/c1-18-15-13(8-5-11-16-15)14(17)10-9-12-6-3-2-4-7-12/h5,8,11-12H,2-4,6-7,9-10H2,1H3
InChIKeyFUCPSTRMADTTRO-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-(3-methoxy-2-pyridinyl)propan-1-one
CID 114054354
1-(2-methoxy-3-pyridinyl)-2-(oxan-4-yl)ethanone
CID 105092072
1-(2-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 105087086
1-(2-methoxy-3-pyridinyl)octan-1-one
CID 105086571
3-cyclopentyl-1-quinoxalin-5-ylpropan-1-one
CID 114192891
1-(2-methoxy-3-pyridinyl)-4-methylsulfonylbutan-1-one
CID 105084342
3-[1-(2-methoxypyridine-3-carbonyl)piperidin-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 42101690
3-cyclopentyl-1-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-yl]propan-1-one
CID 134020986
3-cyclopentyl-1-(2,3-dimethylphenyl)propan-1-one
CID 114970182
[3-(bromomethyl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 80660116
N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-2-methoxypyridine-3-carboxamide
CID 62874305
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one?
The IUPAC name of 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one (CID 114192802) is 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one is COc1ncccc1C(=O)CCC1CCCCC1.
What is the InChIKey of 3-cyclohexyl-1-(2-methoxy-3-pyridinyl)propan-1-one?
The InChIKey is FUCPSTRMADTTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-18-15-13(8-5-11-16-15)14(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-(2-methoxy-3-pyridinyl)propan-1-one?
3-cyclohexyl-1-(2-methoxy-3-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-(2-methoxy-3-pyridinyl)propan-1-one is sourced from PubChem (CID 114192802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).