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

C20H36N4O4 — CID 67652854

IUPACmethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate
SMILESCCC(C1CCNCC1)C1CN(C2CN(C)C(=O)O2)CCN1CCC(=O)OC
InChIInChI=1S/C20H36N4O4/c1-4-16(15-5-8-21-9-6-15)17-13-24(18-14-22(2)20(26)28-18)12-11-23(17)10-7-19(25)27-3/h15-18,21H,4-14H2,1-3H3
InChIKeyZWOQQMSZSSNYOR-UHFFFAOYSA-N
MW396.53 g/mol
LogP0.97
Rot. Bonds7

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

methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate (PubChem CID 67652854) has the molecular formula C20H36N4O4 and a molecular weight of 396.53 g/mol. Its IUPAC name is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate
PubChem CID67652854
Molecular FormulaC20H36N4O4
Molecular Weight396.53 g/mol
Exact Mass396.27
IUPAC Namemethyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate
SMILESCCC(C1CCNCC1)C1CN(C2CN(C)C(=O)O2)CCN1CCC(=O)OC
InChIInChI=1S/C20H36N4O4/c1-4-16(15-5-8-21-9-6-15)17-13-24(18-14-22(2)20(26)28-18)12-11-23(17)10-7-19(25)27-3/h15-18,21H,4-14H2,1-3H3
InChIKeyZWOQQMSZSSNYOR-UHFFFAOYSA-N
XLogP0.97
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.53
LogP ≤ 50.97
H-Bond Donors ≤ 51
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-piperidin-4-ylpropyl)piperazin-1-yl]propanoate?
The IUPAC name of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate (CID 67652854) is methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate.
What is the SMILES notation for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate?
The canonical SMILES for methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate is CCC(C1CCNCC1)C1CN(C2CN(C)C(=O)O2)CCN1CCC(=O)OC.
What is the InChIKey of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate?
The InChIKey is ZWOQQMSZSSNYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O4/c1-4-16(15-5-8-21-9-6-15)17-13-24(18-14-22(2)20(26)28-18)12-11-23(17)10-7-19(25)27-3/h15-18,21H,4-14H2,1-3H3.
What are the key properties of methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate?
methyl 3-[4-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-2-(1-piperidin-4-ylpropyl)piperazin-1-yl]propanoate has a molecular weight of 396.53 g/mol, XLogP of 0.97, 7 rotatable bonds, 1 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-piperidin-4-ylpropyl)piperazin-1-yl]propanoate is sourced from PubChem (CID 67652854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).