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

C17H30N4O4 — CID 15340898

IUPACmethyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C17H30N4O4/c1-24-16(22)4-7-19-8-10-20(11-9-19)12-15-13-21(17(23)25-15)14-2-5-18-6-3-14/h14-15,18H,2-13H2,1H3
InChIKeyHRDZECNULPMDDF-UHFFFAOYSA-N
MW354.45 g/mol
LogP-0.26
Rot. Bonds6

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

methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate (PubChem CID 15340898) has the molecular formula C17H30N4O4 and a molecular weight of 354.45 g/mol. Its IUPAC name is methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
PubChem CID15340898
Molecular FormulaC17H30N4O4
Molecular Weight354.45 g/mol
Exact Mass354.23
IUPAC Namemethyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1
InChIInChI=1S/C17H30N4O4/c1-24-16(22)4-7-19-8-10-20(11-9-19)12-15-13-21(17(23)25-15)14-2-5-18-6-3-14/h14-15,18H,2-13H2,1H3
InChIKeyHRDZECNULPMDDF-UHFFFAOYSA-N
XLogP-0.26
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate (CID 15340898) is methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate is COC(=O)CCN1CCN(CC2CN(C3CCNCC3)C(=O)O2)CC1.
What is the InChIKey of methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
The InChIKey is HRDZECNULPMDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O4/c1-24-16(22)4-7-19-8-10-20(11-9-19)12-15-13-21(17(23)25-15)14-2-5-18-6-3-14/h14-15,18H,2-13H2,1H3.
What are the key properties of methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate?
methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate has a molecular weight of 354.45 g/mol, XLogP of -0.26, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(2-oxo-3-piperidin-4-yl-1,3-oxazolidin-5-yl)methyl]piperazin-1-yl]propanoate is sourced from PubChem (CID 15340898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).