5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride

C17H22ClN3O4 — CID 154899739

IUPAC5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCC1(C)OC(=O)N(CC(=O)N2CCNC(c3ccccc3)C2)C1=O.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-17(2)15(22)20(16(23)24-17)11-14(21)19-9-8-18-13(10-19)12-6-4-3-5-7-12;/h3-7,13,18H,8-11H2,1-2H3;1H
InChIKeyPJHPJEYDRXYFPL-UHFFFAOYSA-N
MW367.83 g/mol
LogP1.34
Rot. Bonds3

About 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride

5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride (PubChem CID 154899739) has the molecular formula C17H22ClN3O4 and a molecular weight of 367.83 g/mol. Its IUPAC name is 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride.

Molecular Properties

Compound Name5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
PubChem CID154899739
Molecular FormulaC17H22ClN3O4
Molecular Weight367.83 g/mol
Exact Mass367.13
IUPAC Name5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride
SMILESCC1(C)OC(=O)N(CC(=O)N2CCNC(c3ccccc3)C2)C1=O.Cl
InChIInChI=1S/C17H21N3O4.ClH/c1-17(2)15(22)20(16(23)24-17)11-14(21)19-9-8-18-13(10-19)12-6-4-3-5-7-12;/h3-7,13,18H,8-11H2,1-2H3;1H
InChIKeyPJHPJEYDRXYFPL-UHFFFAOYSA-N
XLogP1.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.83
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride with MolForge

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Related Compounds

5,5-dimethyl-3-[2-oxo-2-(2-phenylazetidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 72933399
3-(dimethylamino)-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110481652
2-(methylamino)-1-(3-phenylpiperazin-1-yl)ethanone
CID 110479152
3-chloro-1-(3-phenylpiperazin-1-yl)propan-1-one
CID 110480873
5,5-dimethyl-3-[2-oxo-2-(4-phenylmethoxypiperidin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione
CID 31134282
3-oxo-3-(3-phenylpiperazin-1-yl)propanenitrile
CID 110477949
1-(3-phenyl-1,4-diazepan-1-yl)propan-1-one
CID 82242997
ethyl 3-phenylpiperazine-1-carboxylate
CID 2771740
3-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 97269250
phenyl-(3-phenylpiperazin-1-yl)methanone
CID 82246904
(E)-1-(3-phenylpiperazin-1-yl)but-2-en-1-one
CID 110478117
3-[2-[4-(4-acetylphenyl)piperazin-1-yl]-2-oxoethyl]-5,5-dimethyl-1,3-oxazolidine-2,4-dione
CID 72924241

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride?
The IUPAC name of 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride (CID 154899739) is 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride.
What is the SMILES notation for 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride?
The canonical SMILES for 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride is CC1(C)OC(=O)N(CC(=O)N2CCNC(c3ccccc3)C2)C1=O.Cl.
What is the InChIKey of 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride?
The InChIKey is PJHPJEYDRXYFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4.ClH/c1-17(2)15(22)20(16(23)24-17)11-14(21)19-9-8-18-13(10-19)12-6-4-3-5-7-12;/h3-7,13,18H,8-11H2,1-2H3;1H.
What are the key properties of 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride?
5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride has a molecular weight of 367.83 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-3-[2-oxo-2-(3-phenylpiperazin-1-yl)ethyl]-1,3-oxazolidine-2,4-dione;hydrochloride is sourced from PubChem (CID 154899739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).