tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate

C13H24N2O4 — CID 18187514

IUPACtert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)14(4)11(16)18-5/h10H,6-9H2,1-5H3
InChIKeyWZVVKYGNTAJMJQ-UHFFFAOYSA-N
MW272.34 g/mol
LogP2.08
Rot. Bonds1

About tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate

tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate (PubChem CID 18187514) has the molecular formula C13H24N2O4 and a molecular weight of 272.34 g/mol. Its IUPAC name is tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
PubChem CID18187514
Molecular FormulaC13H24N2O4
Molecular Weight272.34 g/mol
Exact Mass272.17
IUPAC Nametert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate
SMILESCOC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)14(4)11(16)18-5/h10H,6-9H2,1-5H3
InChIKeyWZVVKYGNTAJMJQ-UHFFFAOYSA-N
XLogP2.08
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[cyclopropanecarbonyl(methyl)amino]piperidine-1-carboxylate
CID 154576447
tert-butyl 4-[methyl(sulfamoyl)amino]piperidine-1-carboxylate
CID 167049164
methyl-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]carbamic acid
CID 77225686
tert-butyl 4-propan-2-ylpiperidine-1-carboxylate
CID 22899309
methyl 4-[4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]piperidine-1-carbonyl]cyclohexane-1-carboxylate
CID 175871812
tert-butyl 3-[carbamoyl(methyl)amino]pyrrolidine-1-carboxylate
CID 66758447
tert-butyl 4-aminosulfanylpiperidine-1-carboxylate
CID 135202849
tert-butyl 4-[2-(methylamino)propan-2-yl]piperidine-1-carboxylate
CID 84708894
tert-butyl 4-[carbamoyl(sulfanyl)amino]piperidine-1-carboxylate
CID 87593874
tert-butyl 4-[amino(ethanehydrazonoyl)amino]piperidine-1-carboxylate
CID 135161885
tert-butyl N-methyl-N-[4-(methylamino)cyclohexyl]carbamate;hydrochloride
CID 18397394
tert-butyl 4-[methyl-(3-methylthiophene-2-carbonyl)amino]piperidine-1-carboxylate
CID 66519861

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate (CID 18187514) is tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate is COC(=O)N(C)C1CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate?
The InChIKey is WZVVKYGNTAJMJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O4/c1-13(2,3)19-12(17)15-8-6-10(7-9-15)14(4)11(16)18-5/h10H,6-9H2,1-5H3.
What are the key properties of tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate?
tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate has a molecular weight of 272.34 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[methoxycarbonyl(methyl)amino]piperidine-1-carboxylate is sourced from PubChem (CID 18187514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).