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

C16H28N4O4 — CID 19071275

IUPACmethyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C16H28N4O4/c1-23-15(21)12-19-8-6-18(7-9-19)10-14-11-20(16(22)24-14)13-2-4-17-5-3-13/h13-14,17H,2-12H2,1H3
InChIKeyAGKLQSHSIIAFJW-UHFFFAOYSA-N
MW340.42 g/mol
LogP-0.65
Rot. Bonds5

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

methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate (PubChem CID 19071275) has the molecular formula C16H28N4O4 and a molecular weight of 340.42 g/mol. Its IUPAC name is methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate
PubChem CID19071275
Molecular FormulaC16H28N4O4
Molecular Weight340.42 g/mol
Exact Mass340.21
IUPAC Namemethyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C16H28N4O4/c1-23-15(21)12-19-8-6-18(7-9-19)10-14-11-20(16(22)24-14)13-2-4-17-5-3-13/h13-14,17H,2-12H2,1H3
InChIKeyAGKLQSHSIIAFJW-UHFFFAOYSA-N
XLogP-0.65
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate (CID 19071275) is methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate?
The InChIKey is AGKLQSHSIIAFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O4/c1-23-15(21)12-19-8-6-18(7-9-19)10-14-11-20(16(22)24-14)13-2-4-17-5-3-13/h13-14,17H,2-12H2,1H3.
What are the key properties of methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate?
methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate has a molecular weight of 340.42 g/mol, XLogP of -0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).