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

C13H23N3O3 — CID 110685337

IUPAC5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCCN1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1
InChIInChI=1S/C13H23N3O3/c1-3-15-6-8-16(9-7-15)12(17)5-4-11-10-14(2)13(18)19-11/h11H,3-10H2,1-2H3
InChIKeyFQOCDFUFGSBWHS-UHFFFAOYSA-N
MW269.34 g/mol
LogP0.38
Rot. Bonds4

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

5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one (PubChem CID 110685337) has the molecular formula C13H23N3O3 and a molecular weight of 269.34 g/mol. Its IUPAC name is 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one
PubChem CID110685337
Molecular FormulaC13H23N3O3
Molecular Weight269.34 g/mol
Exact Mass269.17
IUPAC Name5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one
SMILESCCN1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1
InChIInChI=1S/C13H23N3O3/c1-3-15-6-8-16(9-7-15)12(17)5-4-11-10-14(2)13(18)19-11/h11H,3-10H2,1-2H3
InChIKeyFQOCDFUFGSBWHS-UHFFFAOYSA-N
XLogP0.38
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-[3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)propanoyl]piperazine-1-carboxylate
CID 110685384
(5S)-5-(2-chloroethyl)-3-methyl-1,3-oxazolidin-2-one
CID 67918701
N-methyl-3-(3-methyl-2-oxo-1,3-oxazolidin-5-yl)-N-phenylpropanamide
CID 110685413
3-(4-aminocyclohexyl)-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 55116653
1,3-bis(4-ethylpiperazin-1-yl)propane-1,3-dione
CID 108944495
2-[2-(4-ethylpiperazin-1-yl)-2-oxoethyl]cyclohexan-1-one
CID 143381826
1-(4-ethylpiperazin-1-yl)tetradecan-1-one
CID 10358918
1-[4-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]piperidin-1-yl]-3-methylbut-2-en-1-one
CID 25280992
ethane;1-(4-ethylpiperazin-1-yl)heptan-1-one
CID 145404569
(5S)-3-methyl-5-(methylaminomethyl)-1,3-oxazolidin-2-one
CID 59010162
3-(4-ethylpiperazin-1-yl)-1-[4-(1-methylpiperidin-4-yl)piperazin-1-yl]propan-1-one
CID 167027277
3-(4-ethylpiperazin-1-yl)-1-(3-propan-2-ylazetidin-1-yl)propan-1-one
CID 174181009

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one (CID 110685337) is 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one is CCN1CCN(C(=O)CCC2CN(C)C(=O)O2)CC1.
What is the InChIKey of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one?
The InChIKey is FQOCDFUFGSBWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O3/c1-3-15-6-8-16(9-7-15)12(17)5-4-11-10-14(2)13(18)19-11/h11H,3-10H2,1-2H3.
What are the key properties of 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one?
5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one has a molecular weight of 269.34 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-3-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 110685337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).