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

C19H34N4O4 — CID 19071121

IUPACmethyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c1-20-8-5-16(6-9-20)23-15-17(27-19(23)25)14-22-12-10-21(11-13-22)7-3-4-18(24)26-2/h16-17H,3-15H2,1-2H3
InChIKeySDFAULVEAOMIPE-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.47
Rot. Bonds7

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

methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate (PubChem CID 19071121) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate.

Molecular Properties

Compound Namemethyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
PubChem CID19071121
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Namemethyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate
SMILESCOC(=O)CCCN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c1-20-8-5-16(6-9-20)23-15-17(27-19(23)25)14-22-12-10-21(11-13-22)7-3-4-18(24)26-2/h16-17H,3-15H2,1-2H3
InChIKeySDFAULVEAOMIPE-UHFFFAOYSA-N
XLogP0.47
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?
The IUPAC name of methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate (CID 19071121) is methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate.
What is the SMILES notation for methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?
The canonical SMILES for methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate is COC(=O)CCCN1CCN(CC2CN(C3CCN(C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?
The InChIKey is SDFAULVEAOMIPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-20-8-5-16(6-9-20)23-15-17(27-19(23)25)14-22-12-10-21(11-13-22)7-3-4-18(24)26-2/h16-17H,3-15H2,1-2H3.
What are the key properties of methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate?
methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate has a molecular weight of 382.51 g/mol, XLogP of 0.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[4-[[3-(1-methylpiperidin-4-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]butanoate is sourced from PubChem (CID 19071121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).