dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate

C11H18N2O6 — CID 112543144

IUPACdimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(C(=O)OC)C1
InChIInChI=1S/C11H18N2O6/c1-17-9(14)7-4-8(12-10(15)18-2)6-13(5-7)11(16)19-3/h7-8H,4-6H2,1-3H3,(H,12,15)
InChIKeyIIWFYTVGZCBRHV-UHFFFAOYSA-N
MW274.27 g/mol
LogP-0.03
Rot. Bonds2

About dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate

dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate (PubChem CID 112543144) has the molecular formula C11H18N2O6 and a molecular weight of 274.27 g/mol. Its IUPAC name is dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
PubChem CID112543144
Molecular FormulaC11H18N2O6
Molecular Weight274.27 g/mol
Exact Mass274.12
IUPAC Namedimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate
SMILESCOC(=O)NC1CC(C(=O)OC)CN(C(=O)OC)C1
InChIInChI=1S/C11H18N2O6/c1-17-9(14)7-4-8(12-10(15)18-2)6-13(5-7)11(16)19-3/h7-8H,4-6H2,1-3H3,(H,12,15)
InChIKeyIIWFYTVGZCBRHV-UHFFFAOYSA-N
XLogP-0.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(methoxycarbonylamino)-5-methylpiperidine-1-carboxylate
CID 112543137
methyl 5-(methoxycarbonylamino)-1-methylpiperidine-3-carboxylate
CID 112542985
methyl 3-(methoxycarbonylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 112543141
methyl 1-carbamoyl-5-(ethoxycarbonylamino)piperidine-3-carboxylate
CID 112543811
trimethyl 1,3-diazinane-1,3,5-tricarboxylate
CID 6483784
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(2-trimethylsilylethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 11395541
1-methoxycarbonyl-5-(methylamino)piperidine-3-carboxylic acid
CID 83989684
methyl 1-(cyclobutylmethyl)-5-(methoxycarbonylamino)piperidine-3-carboxylate
CID 112543460
1-O-tert-butyl 3-O-methyl (3S,5R)-5-(phenylmethoxycarbonylamino)piperidine-1,3-dicarboxylate
CID 70274467
methyl N-(1-carbamoyl-5-methylpiperidin-3-yl)carbamate
CID 112543161
methyl 3-(1-hydroxypropyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544429
ethyl 3-(cyclopropylmethyl)-5-(methoxycarbonylamino)piperidine-1-carboxylate
CID 112543155

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate (CID 112543144) is dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate is COC(=O)NC1CC(C(=O)OC)CN(C(=O)OC)C1.
What is the InChIKey of dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate?
The InChIKey is IIWFYTVGZCBRHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O6/c1-17-9(14)7-4-8(12-10(15)18-2)6-13(5-7)11(16)19-3/h7-8H,4-6H2,1-3H3,(H,12,15).
What are the key properties of dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate?
dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate has a molecular weight of 274.27 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(methoxycarbonylamino)piperidine-1,3-dicarboxylate is sourced from PubChem (CID 112543144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).