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

C11H21N3O2 — CID 54175302

IUPAC5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC2CNC(=O)O2)CC1
InChIInChI=1S/C11H21N3O2/c1-13-5-7-14(8-6-13)4-2-3-10-9-12-11(15)16-10/h10H,2-9H2,1H3,(H,12,15)
InChIKeyOXWVYSRMTLKHFQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.12
Rot. Bonds4

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

5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 54175302) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID54175302
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(CCCC2CNC(=O)O2)CC1
InChIInChI=1S/C11H21N3O2/c1-13-5-7-14(8-6-13)4-2-3-10-9-12-11(15)16-10/h10H,2-9H2,1H3,(H,12,15)
InChIKeyOXWVYSRMTLKHFQ-UHFFFAOYSA-N
XLogP0.12
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (CID 54175302) is 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is CN1CCN(CCCC2CNC(=O)O2)CC1.
What is the InChIKey of 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is OXWVYSRMTLKHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-13-5-7-14(8-6-13)4-2-3-10-9-12-11(15)16-10/h10H,2-9H2,1H3,(H,12,15).
What are the key properties of 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 227.31 g/mol, XLogP of 0.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-methylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 54175302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).