tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate

C21H36N4O6 — CID 15340897

IUPACtert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C21H36N4O6/c1-21(2,3)31-19(27)24-7-5-16(6-8-24)25-14-17(30-20(25)28)13-22-9-11-23(12-10-22)15-18(26)29-4/h16-17H,5-15H2,1-4H3
InChIKeyDJAAGMDXONHVGK-UHFFFAOYSA-N
MW440.54 g/mol
LogP1.00
Rot. Bonds5

About tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate

tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate (PubChem CID 15340897) has the molecular formula C21H36N4O6 and a molecular weight of 440.54 g/mol. Its IUPAC name is tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
PubChem CID15340897
Molecular FormulaC21H36N4O6
Molecular Weight440.54 g/mol
Exact Mass440.26
IUPAC Nametert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C21H36N4O6/c1-21(2,3)31-19(27)24-7-5-16(6-8-24)25-14-17(30-20(25)28)13-22-9-11-23(12-10-22)15-18(26)29-4/h16-17H,5-15H2,1-4H3
InChIKeyDJAAGMDXONHVGK-UHFFFAOYSA-N
XLogP1.00
TPSA91.86 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]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 tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate (CID 15340897) is tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate is COC(=O)CN1CCN(CC2CN(C3CCN(C(=O)OC(C)(C)C)CC3)C(=O)O2)CC1.
What is the InChIKey of tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
The InChIKey is DJAAGMDXONHVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N4O6/c1-21(2,3)31-19(27)24-7-5-16(6-8-24)25-14-17(30-20(25)28)13-22-9-11-23(12-10-22)15-18(26)29-4/h16-17H,5-15H2,1-4H3.
What are the key properties of tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate?
tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate has a molecular weight of 440.54 g/mol, XLogP of 1.00, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[5-[[4-(2-methoxy-2-oxoethyl)piperazin-1-yl]methyl]-2-oxo-1,3-oxazolidin-3-yl]piperidine-1-carboxylate is sourced from PubChem (CID 15340897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).