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

C19H34N4O4 — CID 19071008

IUPACmethyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c1-15(2)22-6-4-16(5-7-22)23-13-17(27-19(23)25)12-20-8-10-21(11-9-20)14-18(24)26-3/h15-17H,4-14H2,1-3H3
InChIKeyORHQCJFVUUWYNE-UHFFFAOYSA-N
MW382.51 g/mol
LogP0.47
Rot. Bonds6

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

methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (PubChem CID 19071008) has the molecular formula C19H34N4O4 and a molecular weight of 382.51 g/mol. Its IUPAC name is methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
PubChem CID19071008
Molecular FormulaC19H34N4O4
Molecular Weight382.51 g/mol
Exact Mass382.26
IUPAC Namemethyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate
SMILESCOC(=O)CN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1
InChIInChI=1S/C19H34N4O4/c1-15(2)22-6-4-16(5-7-22)23-13-17(27-19(23)25)12-20-8-10-21(11-9-20)14-18(24)26-3/h15-17H,4-14H2,1-3H3
InChIKeyORHQCJFVUUWYNE-UHFFFAOYSA-N
XLogP0.47
TPSA65.56 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The IUPAC name of methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate (CID 19071008) is methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is COC(=O)CN1CCN(CC2CN(C3CCN(C(C)C)CC3)C(=O)O2)CC1.
What is the InChIKey of methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
The InChIKey is ORHQCJFVUUWYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O4/c1-15(2)22-6-4-16(5-7-22)23-13-17(27-19(23)25)12-20-8-10-21(11-9-20)14-18(24)26-3/h15-17H,4-14H2,1-3H3.
What are the key properties of methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate?
methyl 2-[4-[[2-oxo-3-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate has a molecular weight of 382.51 g/mol, XLogP of 0.47, 6 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-(1-propan-2-ylpiperidin-4-yl)-1,3-oxazolidin-5-yl]methyl]piperazin-1-yl]acetate is sourced from PubChem (CID 19071008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).