3-(2-methoxyethyl)-1-methylpiperidin-2-one

C9H17NO2 — CID 18952189

IUPAC3-(2-methoxyethyl)-1-methylpiperidin-2-one
SMILESCOCCC1CCCN(C)C1=O
InChIInChI=1S/C9H17NO2/c1-10-6-3-4-8(9(10)11)5-7-12-2/h8H,3-7H2,1-2H3
InChIKeyQYIXXHWXUTYAHZ-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.89
Rot. Bonds3

About 3-(2-methoxyethyl)-1-methylpiperidin-2-one

3-(2-methoxyethyl)-1-methylpiperidin-2-one (PubChem CID 18952189) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-1-methylpiperidin-2-one.

Molecular Properties

Compound Name3-(2-methoxyethyl)-1-methylpiperidin-2-one
PubChem CID18952189
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3-(2-methoxyethyl)-1-methylpiperidin-2-one
SMILESCOCCC1CCCN(C)C1=O
InChIInChI=1S/C9H17NO2/c1-10-6-3-4-8(9(10)11)5-7-12-2/h8H,3-7H2,1-2H3
InChIKeyQYIXXHWXUTYAHZ-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-Methyl-N-[(oxan-4-YL)methyl]pentanamide
CID 91915004
1-[4-(2-Methoxyethyl)piperidin-1-YL]-4-methylpentan-1-one
CID 53150834
N-Methyl-N-[(oxan-4-YL)methyl]cyclopentanecarboxamide
CID 110752398
N,N-dipropyloxane-4-carboxamide
CID 51073126
[(4S)-4-methylazepan-1-yl]-(oxan-4-yl)methanone
CID 95020952
Methyl 3-[1-(4-methylpentanoyl)-4-piperidinyl]propanoate
CID 29182134
N,N-diethyl-2,2-dimethyloxane-4-carboxamide
CID 12296417
1-Ethyl-5-(2-hydroxyethyl)piperidin-2-one
CID 18726886
Methyl 3-(1-acetyl-piperid-4-yl)propionate
CID 20569898
N-tert-butyl-N-ethyl-2,2-dimethyloxane-4-carboxamide
CID 58033925
N-ethyl-N-methyloxane-4-carboxamide
CID 58376362
[(3R)-3-methylpiperidin-1-yl]-(oxan-4-yl)methanone
CID 58394661

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-1-methylpiperidin-2-one?
The IUPAC name of 3-(2-methoxyethyl)-1-methylpiperidin-2-one (CID 18952189) is 3-(2-methoxyethyl)-1-methylpiperidin-2-one.
What is the SMILES notation for 3-(2-methoxyethyl)-1-methylpiperidin-2-one?
The canonical SMILES for 3-(2-methoxyethyl)-1-methylpiperidin-2-one is COCCC1CCCN(C)C1=O.
What is the InChIKey of 3-(2-methoxyethyl)-1-methylpiperidin-2-one?
The InChIKey is QYIXXHWXUTYAHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-10-6-3-4-8(9(10)11)5-7-12-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-1-methylpiperidin-2-one?
3-(2-methoxyethyl)-1-methylpiperidin-2-one has a molecular weight of 171.24 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-1-methylpiperidin-2-one is sourced from PubChem (CID 18952189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).