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

C18H32N4O4 — CID 67652845

IUPACmethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCN(C)CC1
InChIInChI=1S/C18H32N4O4/c1-19-7-4-14(5-8-19)15-12-22(16-13-20(2)18(24)26-16)11-10-21(15)9-6-17(23)25-3/h14-16H,4-13H2,1-3H3
InChIKeyVXWJKMIAXATWOB-UHFFFAOYSA-N
MW368.48 g/mol
LogP0.29
Rot. Bonds5

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

methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (PubChem CID 67652845) has the molecular formula C18H32N4O4 and a molecular weight of 368.48 g/mol. Its IUPAC name is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
PubChem CID67652845
Molecular FormulaC18H32N4O4
Molecular Weight368.48 g/mol
Exact Mass368.24
IUPAC Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate
SMILESCOC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCN(C)CC1
InChIInChI=1S/C18H32N4O4/c1-19-7-4-14(5-8-19)15-12-22(16-13-20(2)18(24)26-16)11-10-21(15)9-6-17(23)25-3/h14-16H,4-13H2,1-3H3
InChIKeyVXWJKMIAXATWOB-UHFFFAOYSA-N
XLogP0.29
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 50.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate (CID 67652845) is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is COC(=O)CCN1CCN(C2CN(C)C(=O)O2)CC1C1CCN(C)CC1.
What is the InChIKey of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
The InChIKey is VXWJKMIAXATWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O4/c1-19-7-4-14(5-8-19)15-12-22(16-13-20(2)18(24)26-16)11-10-21(15)9-6-17(23)25-3/h14-16H,4-13H2,1-3H3.
What are the key properties of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate?
methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate has a molecular weight of 368.48 g/mol, XLogP of 0.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-methylpiperidin-4-yl)piperazin-1-yl]propanoate is sourced from PubChem (CID 67652845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).