3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one

C14H28N2O2 — CID 102957596

IUPAC3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
SMILESCOC1CCCN(C(=O)CC(N)CC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)9-11(15)8-13(17)16-7-5-6-12(10-16)18-4/h11-12H,5-10,15H2,1-4H3
InChIKeyCCXKTGQKAAXQBA-UHFFFAOYSA-N
MW256.39 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one

3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one (PubChem CID 102957596) has the molecular formula C14H28N2O2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one.

Molecular Properties

Compound Name3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
PubChem CID102957596
Molecular FormulaC14H28N2O2
Molecular Weight256.39 g/mol
Exact Mass256.22
IUPAC Name3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one
SMILESCOC1CCCN(C(=O)CC(N)CC(C)(C)C)C1
InChIInChI=1S/C14H28N2O2/c1-14(2,3)9-11(15)8-13(17)16-7-5-6-12(10-16)18-4/h11-12H,5-10,15H2,1-4H3
InChIKeyCCXKTGQKAAXQBA-UHFFFAOYSA-N
XLogP1.78
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-1-(3-methoxypiperidin-1-yl)hexan-1-one
CID 103832729
1-propan-2-yl-N-(2-propan-2-yloxyethyl)piperidine-3-carboxamide
CID 84456985
(2S)-2-amino-1-(3-methoxypiperidin-1-yl)-4-methylpentan-1-one
CID 103809321
5,5-dimethyl-N-[1-(2-propan-2-yloxyacetyl)piperidin-4-yl]hexanamide
CID 117972401
1-[2-[(1R)-1-amino-3,3-dimethylbutyl]morpholin-4-yl]ethanone
CID 132113121
1-[2-(1-Amino-3,3-dimethylbutyl)morpholin-4-yl]ethanone
CID 132113122
N-[1-(2-methoxyacetyl)piperidin-4-yl]-5,5-dimethylhexanamide
CID 155051763
2,2,4,4-Tetramethyl-1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]pentan-1-one
CID 156338618
1-[2-[2,2-Dimethyl-3-(propan-2-ylamino)propyl]morpholin-4-yl]ethanone
CID 166684121
2,2-Dimethyl-1-[4-(2-propan-2-yloxyethylamino)piperidin-1-yl]pentan-1-one
CID 169662162
N-[(3R,4S)-3-methoxy-1-(3-methylbutyl)piperidin-4-yl]-2-methylpropanamide
CID 170184760
N-[(3S,4R)-3-methoxy-1-(3-methylbutyl)piperidin-4-yl]-2-methylpropanamide
CID 172207167

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The IUPAC name of 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one (CID 102957596) is 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one.
What is the SMILES notation for 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The canonical SMILES for 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one is COC1CCCN(C(=O)CC(N)CC(C)(C)C)C1.
What is the InChIKey of 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
The InChIKey is CCXKTGQKAAXQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O2/c1-14(2,3)9-11(15)8-13(17)16-7-5-6-12(10-16)18-4/h11-12H,5-10,15H2,1-4H3.
What are the key properties of 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one?
3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one has a molecular weight of 256.39 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-methoxypiperidin-1-yl)-5,5-dimethylhexan-1-one is sourced from PubChem (CID 102957596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).