1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate

C16H30N2O4 — CID 59356583

IUPAC1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-11(2)8-17-13-7-12(14(19)21-6)9-18(10-13)15(20)22-16(3,4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyONUXPROPUGGHJY-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.03
Rot. Bonds4

About 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate

1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate (PubChem CID 59356583) has the molecular formula C16H30N2O4 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate
PubChem CID59356583
Molecular FormulaC16H30N2O4
Molecular Weight314.43 g/mol
Exact Mass314.22
IUPAC Name1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate
SMILESCOC(=O)C1CC(NCC(C)C)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C16H30N2O4/c1-11(2)8-17-13-7-12(14(19)21-6)9-18(10-13)15(20)22-16(3,4)5/h11-13,17H,7-10H2,1-6H3
InChIKeyONUXPROPUGGHJY-UHFFFAOYSA-N
XLogP2.03
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate (CID 59356583) is 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate is COC(=O)C1CC(NCC(C)C)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate?
The InChIKey is ONUXPROPUGGHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O4/c1-11(2)8-17-13-7-12(14(19)21-6)9-18(10-13)15(20)22-16(3,4)5/h11-13,17H,7-10H2,1-6H3.
What are the key properties of 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate?
1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate has a molecular weight of 314.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 3-O-methyl 5-(2-methylpropylamino)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 59356583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).