methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate

C16H28N4O4 — CID 67654113

IUPACmethyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-18-10-14(24-16(18)22)20-8-7-19(11-15(21)23-2)13(9-20)12-3-5-17-6-4-12/h12-14,17H,3-11H2,1-2H3
InChIKeyZUZPQJQILYMTBU-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.45
Rot. Bonds4

About methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate

methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate (PubChem CID 67654113) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
PubChem CID67654113
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Namemethyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1
InChIInChI=1S/C16H28N4O4/c1-18-10-14(24-16(18)22)20-8-7-19(11-15(21)23-2)13(9-20)12-3-5-17-6-4-12/h12-14,17H,3-11H2,1-2H3
InChIKeyZUZPQJQILYMTBU-UHFFFAOYSA-N
XLogP-0.45
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate 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 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate (CID 67654113) is methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate is COC(=O)CN1CCN(C2CN(C)C(=O)O2)CC1C1CCNCC1.
What is the InChIKey of methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate?
The InChIKey is ZUZPQJQILYMTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-18-10-14(24-16(18)22)20-8-7-19(11-15(21)23-2)13(9-20)12-3-5-17-6-4-12/h12-14,17H,3-11H2,1-2H3.
What are the key properties of methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate?
methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-piperidin-4-ylpiperazin-1-yl]acetate is sourced from PubChem (CID 67654113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).