5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

C9H17N3O2 — CID 20600757

IUPAC5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C9H17N3O2/c1-11-2-4-12(5-3-11)7-8-6-10-9(13)14-8/h8H,2-7H2,1H3,(H,10,13)
InChIKeyRVAXNDBHULHWRO-UHFFFAOYSA-N
MW199.25 g/mol
LogP-0.66
Rot. Bonds2

About 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one

5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 20600757) has the molecular formula C9H17N3O2 and a molecular weight of 199.25 g/mol. Its IUPAC name is 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID20600757
Molecular FormulaC9H17N3O2
Molecular Weight199.25 g/mol
Exact Mass199.13
IUPAC Name5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CC2CNC(=O)O2)CC1
InChIInChI=1S/C9H17N3O2/c1-11-2-4-12(5-3-11)7-8-6-10-9(13)14-8/h8H,2-7H2,1H3,(H,10,13)
InChIKeyRVAXNDBHULHWRO-UHFFFAOYSA-N
XLogP-0.66
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one (CID 20600757) is 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is CN1CCN(CC2CNC(=O)O2)CC1.
What is the InChIKey of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is RVAXNDBHULHWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O2/c1-11-2-4-12(5-3-11)7-8-6-10-9(13)14-8/h8H,2-7H2,1H3,(H,10,13).
What are the key properties of 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one?
5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 199.25 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methylpiperazin-1-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 20600757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).