methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate

C13H24N2O3 — CID 115426493

IUPACmethyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(C)CN
InChIInChI=1S/C13H24N2O3/c1-13(2,9-14)12(17)15-7-5-4-6-10(15)8-11(16)18-3/h10H,4-9,14H2,1-3H3
InChIKeyCPQGLWYMYJHSOE-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate

methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate (PubChem CID 115426493) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
PubChem CID115426493
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate
SMILESCOC(=O)CC1CCCCN1C(=O)C(C)(C)CN
InChIInChI=1S/C13H24N2O3/c1-13(2,9-14)12(17)15-7-5-4-6-10(15)8-11(16)18-3/h10H,4-9,14H2,1-3H3
InChIKeyCPQGLWYMYJHSOE-UHFFFAOYSA-N
XLogP0.92
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-1-(2-ethylazepan-1-yl)-2,2-dimethylpropan-1-one
CID 104689401
methyl 2-[1-[(2S)-2-amino-3,3-dimethylbutanoyl]piperidin-2-yl]acetate
CID 61157077
methyl 2-[1-[2-(aminomethyl)-4,4-dimethylpentanoyl]piperidin-2-yl]acetate
CID 107471714
methyl 2-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-2-oxoacetate
CID 20713862
methyl 2-[1-(dimethylcarbamoyl)piperidin-2-yl]acetate
CID 79154755
methyl 2-[1-[2-(4-fluorophenoxy)-2-methylpropanoyl]piperidin-2-yl]acetate
CID 78901290
methyl 2-[1-(ethylcarbamoyl)piperidin-2-yl]acetate
CID 61010980
methyl 2-[1-(2-aminobutanoyl)piperidin-2-yl]acetate
CID 54916660
ethyl 2-(2-methoxy-2-oxoethyl)pyrrolidine-1-carboxylate
CID 23251970
methyl 2-[1-(2-aminocyclopentanecarbonyl)piperidin-2-yl]acetate
CID 64823425
methyl 2-[1-(6-amino-5,5-dimethylhexyl)piperidin-2-yl]acetate
CID 106708111
5-[2-(2-methoxy-2-oxoethyl)piperidin-1-yl]-5-oxopentanoic acid
CID 54916732

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate?
The IUPAC name of methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate (CID 115426493) is methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate.
What is the SMILES notation for methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate?
The canonical SMILES for methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate is COC(=O)CC1CCCCN1C(=O)C(C)(C)CN.
What is the InChIKey of methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate?
The InChIKey is CPQGLWYMYJHSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-13(2,9-14)12(17)15-7-5-4-6-10(15)8-11(16)18-3/h10H,4-9,14H2,1-3H3.
What are the key properties of methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate?
methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate has a molecular weight of 256.35 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3-amino-2,2-dimethylpropanoyl)piperidin-2-yl]acetate is sourced from PubChem (CID 115426493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).