1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone

C17H30N2O2 — CID 165398573

IUPAC1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCCC12CC2.CC(=O)N1CCCCC1C
InChIInChI=1S/C9H15NO.C8H15NO/c1-8(11)10-7-3-2-4-9(10)5-6-9;1-7-5-3-4-6-9(7)8(2)10/h2-7H2,1H3;7H,3-6H2,1-2H3
InChIKeyJGBSWMSIOPDLLQ-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.96
Rot. Bonds

About 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone

1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone (PubChem CID 165398573) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
PubChem CID165398573
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone
SMILESCC(=O)N1CCCCC12CC2.CC(=O)N1CCCCC1C
InChIInChI=1S/C9H15NO.C8H15NO/c1-8(11)10-7-3-2-4-9(10)5-6-9;1-7-5-3-4-6-9(7)8(2)10/h2-7H2,1H3;7H,3-6H2,1-2H3
InChIKeyJGBSWMSIOPDLLQ-UHFFFAOYSA-N
XLogP2.96
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;1-(2-methylpiperidin-1-yl)ethanone;propane
CID 169253047
ethane;1-(2-methylazepan-1-yl)ethanone
CID 143677776
ethane;methane;2-methylpiperidine;bis(1-(2-methylpiperidin-1-yl)ethanone)
CID 159317096
(2S)-2-methylpiperidine-1-carbonyl chloride
CID 45081356
ethane;methyl formate;1-(2-methylpyrrolidin-1-yl)ethanone
CID 142572417
ethane;1-[(8S)-8-methyl-5-azaspiro[3.5]nonan-5-yl]ethanone
CID 169125133
2-chloro-1-(2-methylazepan-1-yl)ethanone
CID 21490096
4-acetyl-4-azaspiro[2.5]octane-6-carboxylic acid
CID 167741680
methane;1-(2-methylpiperidin-1-yl)prop-2-en-1-one
CID 166466257
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
(4-amino-1-bicyclo[2.2.2]octanyl)-(2-methylpiperidin-1-yl)methanone
CID 178203118
1-(2-methylpiperidin-1-yl)-2-(9-oxa-6-azaspiro[4.5]decan-6-yl)ethanone
CID 127687052

Frequently Asked Questions

What is the IUPAC name of 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone?
The IUPAC name of 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone (CID 165398573) is 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone.
What is the SMILES notation for 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone?
The canonical SMILES for 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone is CC(=O)N1CCCCC12CC2.CC(=O)N1CCCCC1C.
What is the InChIKey of 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone?
The InChIKey is JGBSWMSIOPDLLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C8H15NO/c1-8(11)10-7-3-2-4-9(10)5-6-9;1-7-5-3-4-6-9(7)8(2)10/h2-7H2,1H3;7H,3-6H2,1-2H3.
What are the key properties of 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone?
1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone has a molecular weight of 294.44 g/mol, XLogP of 2.96, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-azaspiro[2.5]octan-4-yl)ethanone;1-(2-methylpiperidin-1-yl)ethanone is sourced from PubChem (CID 165398573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).