methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate

C11H20N2O3 — CID 127581766

IUPACmethyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1C(C)CCCC1C
InChIInChI=1S/C11H20N2O3/c1-8-5-4-6-9(2)13(8)11(15)12-7-10(14)16-3/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyHFLYLMXIHSOAST-UHFFFAOYSA-N
MW228.29 g/mol
LogP1.13
Rot. Bonds2

About methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate

methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate (PubChem CID 127581766) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
PubChem CID127581766
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)N1C(C)CCCC1C
InChIInChI=1S/C11H20N2O3/c1-8-5-4-6-9(2)13(8)11(15)12-7-10(14)16-3/h8-9H,4-7H2,1-3H3,(H,12,15)
InChIKeyHFLYLMXIHSOAST-UHFFFAOYSA-N
XLogP1.13
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(methoxymethyl)-2,6-dimethylpiperidine-1-carboxamide
CID 110675943
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-methoxypropanoic acid
CID 114144778
(2S,6R)-N-tert-butyl-2,6-dimethylpiperidine-1-carboxamide
CID 104967122
4-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-3-hydroxy-3-methylbutanoic acid
CID 104968130
3-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]-2-hydroxypropanoic acid
CID 104968030
N-[2-(4-methoxyphenyl)ethyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108901943
methyl 3-(2,6-dimethylpiperidin-1-yl)propanoate
CID 14810577
N-benzyl-2,6-dimethylpiperidine-1-carboxamide
CID 110755036
methyl 3-[(2,6-dimethylpiperidin-1-yl)amino]butanoate
CID 83021986
N-(2-chloroacetyl)-2,6-dimethylpiperidine-1-carboxamide
CID 43146357
N-[(4-chlorophenoxy)methyl]-2,6-dimethylpiperidine-1-carboxamide
CID 108885242
2-[1-[(2-methoxy-2-oxoethyl)carbamoyl]pyrrolidin-2-yl]acetic acid
CID 61371746

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate (CID 127581766) is methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate is COC(=O)CNC(=O)N1C(C)CCCC1C.
What is the InChIKey of methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate?
The InChIKey is HFLYLMXIHSOAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-8-5-4-6-9(2)13(8)11(15)12-7-10(14)16-3/h8-9H,4-7H2,1-3H3,(H,12,15).
What are the key properties of methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate?
methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,6-dimethylpiperidine-1-carbonyl)amino]acetate is sourced from PubChem (CID 127581766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).