3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one

C11H20N2O3 — CID 104766156

IUPAC3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
SMILESCOC1(CN2CCCC(N)C2=O)CCOC1
InChIInChI=1S/C11H20N2O3/c1-15-11(4-6-16-8-11)7-13-5-2-3-9(12)10(13)14/h9H,2-8,12H2,1H3
InChIKeyOULFPGMUESLQDP-UHFFFAOYSA-N
MW228.29 g/mol
LogP-0.26
Rot. Bonds3

About 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one

3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one (PubChem CID 104766156) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
PubChem CID104766156
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one
SMILESCOC1(CN2CCCC(N)C2=O)CCOC1
InChIInChI=1S/C11H20N2O3/c1-15-11(4-6-16-8-11)7-13-5-2-3-9(12)10(13)14/h9H,2-8,12H2,1H3
InChIKeyOULFPGMUESLQDP-UHFFFAOYSA-N
XLogP-0.26
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-methoxyoxolan-3-yl)methyl]-3-(propan-2-ylamino)piperidin-2-one
CID 104766153
1-[(3-methoxyoxolan-3-yl)methyl]-3-methylpiperidin-4-amine
CID 104761944
4-hydroxy-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766126
3-cyclopropyl-6-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperazine-2,5-dione
CID 104766542
4-(hydroxymethyl)-1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-2-one
CID 104766136
1-[(3-methoxyoxolan-3-yl)methyl]pyrrolidin-3-one
CID 104761898
methyl 2-[(3S)-3-amino-2-oxopiperidin-1-yl]acetate
CID 10583700
2-ethyl-3-[(3-methoxyoxolan-3-yl)methyl]-5-methylimidazolidin-4-one
CID 113451101
(3R)-3-amino-1-[2-(dimethylamino)ethyl]piperidin-2-one
CID 95354967
9-[(3-methoxyoxolan-3-yl)methyl]-7,9-diazaspiro[4.5]decane-6,8,10-trione
CID 104767923
N-ethyl-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-4-amine
CID 104761942
3-[(3-methoxyoxolan-3-yl)methyl]-2-methyl-5-(2-methylpropyl)imidazolidin-4-one
CID 104767875

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one?
The IUPAC name of 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one (CID 104766156) is 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one.
What is the SMILES notation for 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one?
The canonical SMILES for 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one is COC1(CN2CCCC(N)C2=O)CCOC1.
What is the InChIKey of 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one?
The InChIKey is OULFPGMUESLQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-11(4-6-16-8-11)7-13-5-2-3-9(12)10(13)14/h9H,2-8,12H2,1H3.
What are the key properties of 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one?
3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one has a molecular weight of 228.29 g/mol, XLogP of -0.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(3-methoxyoxolan-3-yl)methyl]piperidin-2-one is sourced from PubChem (CID 104766156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).