1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate

C19H34N2O6 — CID 59322269

IUPAC1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O6/c1-8-25-14(22)19(13-20-15(23)26-17(2,3)4)9-11-21(12-10-19)16(24)27-18(5,6)7/h8-13H2,1-7H3,(H,20,23)
InChIKeyKODGWZITUGDOHL-UHFFFAOYSA-N
MW386.49 g/mol
LogP3.09
Rot. Bonds4

About 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate

1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate (PubChem CID 59322269) has the molecular formula C19H34N2O6 and a molecular weight of 386.49 g/mol. Its IUPAC name is 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate
PubChem CID59322269
Molecular FormulaC19H34N2O6
Molecular Weight386.49 g/mol
Exact Mass386.24
IUPAC Name1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate
SMILESCCOC(=O)C1(CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1
InChIInChI=1S/C19H34N2O6/c1-8-25-14(22)19(13-20-15(23)26-17(2,3)4)9-11-21(12-10-19)16(24)27-18(5,6)7/h8-13H2,1-7H3,(H,20,23)
InChIKeyKODGWZITUGDOHL-UHFFFAOYSA-N
XLogP3.09
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate 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

1-tert-Butyl 4-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 16218276
1,4-Di-tert-butyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 21948349
1-tert-Butyl 4-methyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 25418822
1-(1,1-Dimethylethyl) 4-(aminomethyl)-1,4-piperidinedicarboxylate
CID 71089163
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate
CID 117100495
Methyl 4-((((tert-butoxy)carbonyl)amino)methyl)piperidine-4-carboxylate hydrochloride
CID 138039808
Methyl 3-[4-fluoro-4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]-2,2-dimethylpropanoate
CID 67231861
1-O-tert-butyl 4-O-methyl 4-[[(2,2,2-trifluoroacetyl)amino]methyl]piperidine-1,4-dicarboxylate
CID 88991157
4-O-tert-butyl 1-O-ethyl 4-methylpiperidine-1,4-dicarboxylate
CID 22730395
1-tert-Butyl 4-ethyl 4-(aminomethyl)piperidine-1,4-dicarboxylate
CID 46839935
Ethyl 1-{2-[(tert-butoxycarbonyl)amino]ethyl}-4-piperidinecarboxylate
CID 50853259
Ethyl 1-Boc-4-ethyl-4-piperidine carboxylate
CID 53393415

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate (CID 59322269) is 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate is CCOC(=O)C1(CNC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1.
What is the InChIKey of 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate?
The InChIKey is KODGWZITUGDOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N2O6/c1-8-25-14(22)19(13-20-15(23)26-17(2,3)4)9-11-21(12-10-19)16(24)27-18(5,6)7/h8-13H2,1-7H3,(H,20,23).
What are the key properties of 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate?
1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate has a molecular weight of 386.49 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 4-O-ethyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidine-1,4-dicarboxylate is sourced from PubChem (CID 59322269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).