tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate

C13H24N2O3 — CID 121418713

IUPACtert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-8-6-13(4,7-9-15)10(16)14-5/h6-9H2,1-5H3,(H,14,16)
InChIKeyOUCHVAFIYQIWSS-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.77
Rot. Bonds1

About tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate

tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate (PubChem CID 121418713) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
PubChem CID121418713
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Nametert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate
SMILESCNC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-8-6-13(4,7-9-15)10(16)14-5/h6-9H2,1-5H3,(H,14,16)
InChIKeyOUCHVAFIYQIWSS-UHFFFAOYSA-N
XLogP1.77
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate;N,4-dimethylpiperidine-4-carboxamide;dihydrochloride
CID 159762933
ethane;4-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid
CID 142839957
tert-butyl 4-carbonofluoridoyl-4-methylpiperidine-1-carboxylate
CID 145108017
tert-butyl 4-(2-aminoacetyl)-4-methylpiperidine-1-carboxylate
CID 115047873
tert-butyl 4-methyl-4-(methylaminomethyl)piperidine-1-carboxylate
CID 131142821
tert-butyl 4-tert-butyl-4-methylpiperidine-1-carboxylate
CID 122487124
tert-butyl 4-[(3-tert-butylphenyl)carbamoyl]-4-methylpiperidine-1-carboxylate
CID 86635224
tert-butyl 4-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 67240999
tert-butyl 6-azaspiro[2.5]octane-6-carboxylate;methane
CID 177036398
tert-butyl 4-(methylcarbamoyl)-4-phenoxypiperidine-1-carboxylate
CID 118515441
tert-butyl 4-[(1-methylcyclobutanecarbonyl)amino]piperidine-1-carboxylate
CID 126454930
tert-butyl 4,4-dimethylazepane-1-carboxylate
CID 65286456

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate (CID 121418713) is tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate is CNC(=O)C1(C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate?
The InChIKey is OUCHVAFIYQIWSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-12(2,3)18-11(17)15-8-6-13(4,7-9-15)10(16)14-5/h6-9H2,1-5H3,(H,14,16).
What are the key properties of tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate?
tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-methyl-4-(methylcarbamoyl)piperidine-1-carboxylate is sourced from PubChem (CID 121418713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).