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

C21H38N4O4 — CID 19071006

IUPACmethyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCC3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C21H38N4O4/c1-17(2)24-7-4-18(5-8-24)6-9-25-15-19(29-21(25)27)14-22-10-12-23(13-11-22)16-20(26)28-3/h17-19H,4-16H2,1-3H3
InChIKeyOPSVOEFLVVPYDI-UHFFFAOYSA-N
MW410.56 g/mol
LogP1.11
Rot. Bonds8

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

methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071006) has the molecular formula C21H38N4O4 and a molecular weight of 410.56 g/mol. Its IUPAC name is methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071006
Molecular FormulaC21H38N4O4
Molecular Weight410.56 g/mol
Exact Mass410.29
IUPAC Namemethyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(CCC3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C21H38N4O4/c1-17(2)24-7-4-18(5-8-24)6-9-25-15-19(29-21(25)27)14-22-10-12-23(13-11-22)16-20(26)28-3/h17-19H,4-16H2,1-3H3
InChIKeyOPSVOEFLVVPYDI-UHFFFAOYSA-N
XLogP1.11
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071006) is methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(CCC3CCN(C(C)C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is OPSVOEFLVVPYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H38N4O4/c1-17(2)24-7-4-18(5-8-24)6-9-25-15-19(29-21(25)27)14-22-10-12-23(13-11-22)16-20(26)28-3/h17-19H,4-16H2,1-3H3.
What are the key properties of methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 410.56 g/mol, XLogP of 1.11, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[[2-oxo-3-[2-(1-propan-2-ylpiperidin-4-yl)ethyl]-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).