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

C17H30N4O4 — CID 19071098

IUPACmethyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1
InChIInChI=1S/C17H30N4O4/c1-18-5-3-14(4-6-18)21-12-15(25-17(21)23)11-19-7-9-20(10-8-19)13-16(22)24-2/h14-15H,3-13H2,1-2H3
InChIKeyICTHKDLUKZQRCN-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.31
Rot. Bonds5

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

methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071098) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071098
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Namemethyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1
InChIInChI=1S/C17H30N4O4/c1-18-5-3-14(4-6-18)21-12-15(25-17(21)23)11-19-7-9-20(10-8-19)13-16(22)24-2/h14-15H,3-13H2,1-2H3
InChIKeyICTHKDLUKZQRCN-UHFFFAOYSA-N
XLogP-0.31
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071098) is methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is ICTHKDLUKZQRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-18-5-3-14(4-6-18)21-12-15(25-17(21)23)11-19-7-9-20(10-8-19)13-16(22)24-2/h14-15H,3-13H2,1-2H3.
What are the key properties of methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 354.45 g/mol, XLogP of -0.31, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).