cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone

C17H32N2O — CID 65023261

IUPACcyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C17H32N2O/c1-18-13-12-16-11-7-8-14-19(16)17(20)15-9-5-3-2-4-6-10-15/h15-16,18H,2-14H2,1H3
InChIKeyRMYCOZPZUQXWPI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.34
Rot. Bonds4

About cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone

cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (PubChem CID 65023261) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
PubChem CID65023261
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Namecyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
SMILESCNCCC1CCCCN1C(=O)C1CCCCCCC1
InChIInChI=1S/C17H32N2O/c1-18-13-12-16-11-7-8-14-19(16)17(20)15-9-5-3-2-4-6-10-15/h15-16,18H,2-14H2,1H3
InChIKeyRMYCOZPZUQXWPI-UHFFFAOYSA-N
XLogP3.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2,2-dimethylcyclohexyl)-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone
CID 107180809
[2-(2-aminoethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63755194
[2-[2-(methylamino)ethyl]piperidin-1-yl]-(1-methylcyclohexyl)methanone
CID 106828027
cyclohexyl-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 798108
[2-(chloromethyl)piperidin-1-yl]-cyclohexylmethanone
CID 63395604
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
1-[1-(cycloheptanecarbonyl)azepan-2-yl]propan-2-one
CID 79553595
[2-(bromomethyl)piperidin-1-yl]-cyclooctylmethanone
CID 80660817
[2-[2-(methylamino)ethyl]piperidin-1-yl]-pyridazin-4-ylmethanone
CID 113439400
(4-tert-butylcyclohexyl)-[2-(methylaminomethyl)piperidin-1-yl]methanone
CID 63249081
N-[4-[2-(methylaminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]cyclopentanecarboxamide
CID 119651183
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The IUPAC name of cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone (CID 65023261) is cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is CNCCC1CCCCN1C(=O)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
The InChIKey is RMYCOZPZUQXWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-18-13-12-16-11-7-8-14-19(16)17(20)15-9-5-3-2-4-6-10-15/h15-16,18H,2-14H2,1H3.
What are the key properties of cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone?
cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone has a molecular weight of 280.46 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[2-[2-(methylamino)ethyl]piperidin-1-yl]methanone is sourced from PubChem (CID 65023261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).