methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate

C12H21N3O4 — CID 43623309

IUPACmethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H21N3O4/c1-14(2)12(18)15-6-4-9(5-7-15)11(17)13-8-10(16)19-3/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyBQKZPZUSVYAHMC-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.33
Rot. Bonds3

About methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate

methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate (PubChem CID 43623309) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
PubChem CID43623309
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Namemethyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C12H21N3O4/c1-14(2)12(18)15-6-4-9(5-7-15)11(17)13-8-10(16)19-3/h9H,4-8H2,1-3H3,(H,13,17)
InChIKeyBQKZPZUSVYAHMC-UHFFFAOYSA-N
XLogP-0.33
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]propanoate
CID 60778061
4-N-(2-methoxyethyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 3543766
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 83224585
methyl 2-[[3-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]benzoyl]amino]acetate
CID 55779526
1-N,1-N-dimethyl-4-N-[2-(methylamino)propyl]piperidine-1,4-dicarboxamide
CID 120828598
4-N-tert-butyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 60779224
4-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 107845526
methyl 2-[(1-ethylsulfonylpiperidine-4-carbonyl)amino]acetate
CID 43407010
4-N-but-3-enyl-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 113466075
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]-ethylamino]acetate
CID 61383495
4-N-(1-hydroxypropan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 43501083
4-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 103895580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate (CID 43623309) is methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate?
The InChIKey is BQKZPZUSVYAHMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-14(2)12(18)15-6-4-9(5-7-15)11(17)13-8-10(16)19-3/h9H,4-8H2,1-3H3,(H,13,17).
What are the key properties of methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate?
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate has a molecular weight of 271.32 g/mol, XLogP of -0.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 43623309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).