methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate

C19H35N3O4 — CID 66810903

IUPACmethyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-19(2,3)26-17(23)20-13-15-5-9-21(10-6-15)14-16-7-11-22(12-8-16)18(24)25-4/h15-16H,5-14H2,1-4H3,(H,20,23)
InChIKeyYYPITLFLCABILG-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.70
Rot. Bonds4

About methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate

methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate (PubChem CID 66810903) has the molecular formula C19H35N3O4 and a molecular weight of 369.51 g/mol. Its IUPAC name is methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
PubChem CID66810903
Molecular FormulaC19H35N3O4
Molecular Weight369.51 g/mol
Exact Mass369.26
IUPAC Namemethyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CC1
InChIInChI=1S/C19H35N3O4/c1-19(2,3)26-17(23)20-13-15-5-9-21(10-6-15)14-16-7-11-22(12-8-16)18(24)25-4/h15-16H,5-14H2,1-4H3,(H,20,23)
InChIKeyYYPITLFLCABILG-UHFFFAOYSA-N
XLogP2.70
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The IUPAC name of methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate (CID 66810903) is methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate is COC(=O)N1CCC(CN2CCC(CNC(=O)OC(C)(C)C)CC2)CC1.
What is the InChIKey of methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
The InChIKey is YYPITLFLCABILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O4/c1-19(2,3)26-17(23)20-13-15-5-9-21(10-6-15)14-16-7-11-22(12-8-16)18(24)25-4/h15-16H,5-14H2,1-4H3,(H,20,23).
What are the key properties of methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate?
methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate has a molecular weight of 369.51 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]piperidin-1-yl]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 66810903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).