methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate

C11H21N3O3 — CID 83224585

IUPACmethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)11(16)14-6-4-9(5-7-14)12-8-10(15)17-3/h9,12H,4-8H2,1-3H3
InChIKeyNQJVXRQLNAIZNP-UHFFFAOYSA-N
MW243.31 g/mol
LogP-0.10
Rot. Bonds3

About methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate

methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate (PubChem CID 83224585) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
PubChem CID83224585
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Namemethyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
SMILESCOC(=O)CNC1CCN(C(=O)N(C)C)CC1
InChIInChI=1S/C11H21N3O3/c1-13(2)11(16)14-6-4-9(5-7-14)12-8-10(15)17-3/h9,12H,4-8H2,1-3H3
InChIKeyNQJVXRQLNAIZNP-UHFFFAOYSA-N
XLogP-0.10
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate
CID 75444294
4-(cyclopropylmethylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 115307162
methyl 2-[[1-(dimethylcarbamoyl)piperidine-4-carbonyl]amino]acetate
CID 43623309
4-[[2-(tert-butylamino)-2-oxoethyl]amino]-N,N-dimethylpiperidine-1-carboxamide
CID 83201902
N,N-dimethyl-4-(oxan-4-ylmethylamino)piperidine-1-carboxamide
CID 83202827
4-[(1-methoxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 103991580
N,N-dimethyl-4-(2-methylsulfanylpropylamino)piperidine-1-carboxamide
CID 115899675
4-[(3-hydroxycyclobutyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83261087
4-(but-3-ynylamino)-N,N-dimethylpiperidine-1-carboxamide
CID 83262365
4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83268946
N,N-dimethyl-4-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]piperidine-1-carboxamide
CID 83199504
N,N-dimethyl-4-[3-(2-methylpropoxy)propylamino]piperidine-1-carboxamide
CID 83199097

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The IUPAC name of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate (CID 83224585) is methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate is COC(=O)CNC1CCN(C(=O)N(C)C)CC1.
What is the InChIKey of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
The InChIKey is NQJVXRQLNAIZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-13(2)11(16)14-6-4-9(5-7-14)12-8-10(15)17-3/h9,12H,4-8H2,1-3H3.
What are the key properties of methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate?
methyl 2-[[1-(dimethylcarbamoyl)piperidin-4-yl]amino]acetate has a molecular weight of 243.31 g/mol, XLogP of -0.10, 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)piperidin-4-yl]amino]acetate is sourced from PubChem (CID 83224585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).