methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate

C12H20N2O3 — CID 165457622

IUPACmethyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C1CCC1)C1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)11(15)14(9-3-2-4-9)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3
InChIKeyGWKHRECGINKBDL-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds2

About methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate

methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate (PubChem CID 165457622) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
PubChem CID165457622
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate
SMILESCOC(=O)C(=O)N(C1CCC1)C1CCNCC1
InChIInChI=1S/C12H20N2O3/c1-17-12(16)11(15)14(9-3-2-4-9)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3
InChIKeyGWKHRECGINKBDL-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-cyclohexyl-2-methoxy-N-piperidin-4-ylacetamide
CID 70252471
1-cyclohexyl-1-piperidin-4-yl-3-propan-2-ylurea
CID 67344292
methyl 2-[azetidin-3-yl(oxolan-3-yl)amino]-2-oxoacetate
CID 165451637
methyl N-ethyl-N-piperidin-4-ylcarbamate;hydrochloride
CID 155407834
methyl 4-[ethyl(piperidin-4-yl)amino]-2-methylbut-2-enoate
CID 77075285
tert-butyl N-(azepan-4-yl)-N-cyclopropylcarbamate
CID 154998041
methyl 2-methyl-4-[methyl(piperidin-4-yl)amino]but-2-enoate
CID 77075192
methyl 2-[cyclopropyl(methyl)amino]-2-oxoacetate
CID 112616726
tert-butyl N-cyclobutyl-N-[(3R)-pyrrolidin-3-yl]carbamate
CID 167504034
2-[azepan-4-yl(methyl)amino]-N,N-diethylacetamide
CID 113361714
N-methoxy-N-methylazepan-4-amine
CID 84650806
N-cyclohexyl-1-methyl-N-piperidin-4-ylpyrrolidine-2-carboxamide
CID 71024303

Frequently Asked Questions

What is the IUPAC name of methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate?
The IUPAC name of methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate (CID 165457622) is methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate.
What is the SMILES notation for methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate?
The canonical SMILES for methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate is COC(=O)C(=O)N(C1CCC1)C1CCNCC1.
What is the InChIKey of methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate?
The InChIKey is GWKHRECGINKBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-17-12(16)11(15)14(9-3-2-4-9)10-5-7-13-8-6-10/h9-10,13H,2-8H2,1H3.
What are the key properties of methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate?
methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate has a molecular weight of 240.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[cyclobutyl(piperidin-4-yl)amino]-2-oxoacetate is sourced from PubChem (CID 165457622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).