3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one

C12H22N2O2 — CID 83039430

IUPAC3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
SMILESCC1(C)CC(N2CCCC(N)C2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyJVVRPMHBRWNMDM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.89
Rot. Bonds1

About 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one

3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one (PubChem CID 83039430) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
PubChem CID83039430
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one
SMILESCC1(C)CC(N2CCCC(N)C2=O)CCO1
InChIInChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3
InChIKeyJVVRPMHBRWNMDM-UHFFFAOYSA-N
XLogP0.89
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-amino-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83028716
2-(2,2-dimethyloxan-4-yl)-4,7,8,9,10,10a-hexahydro-3H-pyrido[1,2-a][1,4]diazepine-1,5-dione
CID 83036096
6-amino-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 117273495
3-butan-2-yl-1-(2,2-dimethyloxan-4-yl)-1,4-diazepane-2,5-dione
CID 83036095
1-(2,2-dimethyloxan-4-yl)-3-ethylpiperazine-2,5-dione
CID 83039442
4-(aminomethyl)-1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-one
CID 83040179
3-amino-1-(5-methylthiolan-3-yl)piperidin-2-one
CID 131062299
2-cyclopentyl-3-(2,2-dimethyloxan-4-yl)-5-methylimidazolidin-4-one
CID 83260627
2-[1-(2,2-dimethyloxan-4-yl)pyrrolidin-2-yl]acetic acid
CID 65067859
4-amino-3,4,7,8,9,9a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazepin-5-one
CID 146158050
(3R)-3-amino-1-cyclobutylpyrrolidin-2-one
CID 94423916
1-(2,2-dimethyloxan-4-yl)-3,3-diethylpiperazine-2,5-dione
CID 83039336

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The IUPAC name of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one (CID 83039430) is 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one.
What is the SMILES notation for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The canonical SMILES for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one is CC1(C)CC(N2CCCC(N)C2=O)CCO1.
What is the InChIKey of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
The InChIKey is JVVRPMHBRWNMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)8-9(5-7-16-12)14-6-3-4-10(13)11(14)15/h9-10H,3-8,13H2,1-2H3.
What are the key properties of 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one?
3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(2,2-dimethyloxan-4-yl)piperidin-2-one is sourced from PubChem (CID 83039430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).