1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one

C13H23NO2 — CID 114500280

IUPAC1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
SMILESCOC1CCCC(N2CCC(=O)C(C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-9-14(7-6-13(10)15)11-4-3-5-12(8-11)16-2/h10-12H,3-9H2,1-2H3
InChIKeyUVIBFUNEWZNHTF-UHFFFAOYSA-N
MW225.33 g/mol
LogP1.85
Rot. Bonds2

About 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one

1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one (PubChem CID 114500280) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one.

Molecular Properties

Compound Name1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
PubChem CID114500280
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one
SMILESCOC1CCCC(N2CCC(=O)C(C)C2)C1
InChIInChI=1S/C13H23NO2/c1-10-9-14(7-6-13(10)15)11-4-3-5-12(8-11)16-2/h10-12H,3-9H2,1-2H3
InChIKeyUVIBFUNEWZNHTF-UHFFFAOYSA-N
XLogP1.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1S,3S)-3-methoxycyclohexyl]piperidin-4-one
CID 162083212
1-(3-ethylcyclohexyl)-3-methylpiperidin-4-one
CID 64741839
3-methyl-1-(3-oxocyclohexyl)piperidin-4-one
CID 114501314
(3R)-1-(3-methoxycyclohexyl)pyrrolidin-3-ol
CID 66291270
3-methyl-1-(5-methylthiolan-3-yl)piperidin-4-one
CID 130899222
6-methyl-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-one
CID 69483483
1-(azetidin-3-yl)-4-(3-methoxycyclohexyl)piperazine
CID 66201031
ethyl (3R)-1-(3-methoxycyclohexyl)piperidine-3-carboxylate
CID 113331181
3-(bromomethyl)-1-(3-methoxycyclohexyl)azetidine
CID 130531234
1-(2,4-dimethylcyclohexyl)-3-methylpiperidin-4-one
CID 63996285
1-(3-methoxycyclohexyl)-3-propan-2-ylpiperazine
CID 64833612
3-amino-1-(3-methoxycyclohexyl)pyrrolidine-3-carboxylic acid
CID 107321554

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one?
The IUPAC name of 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one (CID 114500280) is 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one.
What is the SMILES notation for 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one?
The canonical SMILES for 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one is COC1CCCC(N2CCC(=O)C(C)C2)C1.
What is the InChIKey of 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one?
The InChIKey is UVIBFUNEWZNHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10-9-14(7-6-13(10)15)11-4-3-5-12(8-11)16-2/h10-12H,3-9H2,1-2H3.
What are the key properties of 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one?
1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one has a molecular weight of 225.33 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxycyclohexyl)-3-methylpiperidin-4-one is sourced from PubChem (CID 114500280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).