3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

C16H29NO2 — CID 52992865

IUPAC3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-19-13-15-8-5-11-17(12-15)16(18)10-9-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3
InChIKeyLHGQGMJFWRPSRR-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.23
Rot. Bonds5

About 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one

3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (PubChem CID 52992865) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
PubChem CID52992865
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one
SMILESCOCC1CCCN(C(=O)CCC2CCCCC2)C1
InChIInChI=1S/C16H29NO2/c1-19-13-15-8-5-11-17(12-15)16(18)10-9-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3
InChIKeyLHGQGMJFWRPSRR-UHFFFAOYSA-N
XLogP3.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(2-Hydroxy-1-methyl-ethyl)-piperidin-1-yl]-tridecan-1-one
CID 44271494
2-cyclohexyl-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)acetamide
CID 91915001
Ethyl 1-(cyclohexanecarbonyl)piperidine-3-carboxylate
CID 2914232
Cyclohexyl-[4-(2-methoxyethyl)piperidin-1-yl]methanone
CID 53150806
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
3-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]propan-1-one
CID 53150835
2-Cyclohexyl-1-[4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 53150837
1-[2-Acetyl-4-(methoxymethyl)-2,8-diazaspiro[4.5]decan-8-YL]-2-cyclohexylethan-1-one
CID 91910537
2-Cyclohexyl-1-[4-(dimethylamino)-4-(2-methoxyethyl)piperidin-1-yl]ethanone
CID 132334816
(2S)-3-cyclopentyl-2-methyl-1-(1-oxa-7-azaspiro[3.5]nonan-7-yl)propan-1-one
CID 124296838
Isonipecotic acid, N-(cyclohexylcarbonyl)-, pentyl ester
CID 91732560
1-[3-(Methoxymethyl)piperidin-1-yl]-2-[4-(trifluoromethyl)cyclohexyl]ethanone
CID 86787381

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The IUPAC name of 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one (CID 52992865) is 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The canonical SMILES for 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is COCC1CCCN(C(=O)CCC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
The InChIKey is LHGQGMJFWRPSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-19-13-15-8-5-11-17(12-15)16(18)10-9-14-6-3-2-4-7-14/h14-15H,2-13H2,1H3.
What are the key properties of 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one?
3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one has a molecular weight of 267.41 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-[3-(methoxymethyl)piperidin-1-yl]propan-1-one is sourced from PubChem (CID 52992865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).