3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one

C25H31N3O3 — CID 54045807

IUPAC3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCN(CCC(c2ccccc2)N2CC(Cc3ccccc3)OC2=O)CC1
InChIInChI=1S/C25H31N3O3/c1-20(29)27-16-14-26(15-17-27)13-12-24(22-10-6-3-7-11-22)28-19-23(31-25(28)30)18-21-8-4-2-5-9-21/h2-11,23-24H,12-19H2,1H3
InChIKeyLPNAAUVALCAVAB-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.35
Rot. Bonds7

About 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one

3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one (PubChem CID 54045807) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one
PubChem CID54045807
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC Name3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one
SMILESCC(=O)N1CCN(CCC(c2ccccc2)N2CC(Cc3ccccc3)OC2=O)CC1
InChIInChI=1S/C25H31N3O3/c1-20(29)27-16-14-26(15-17-27)13-12-24(22-10-6-3-7-11-22)28-19-23(31-25(28)30)18-21-8-4-2-5-9-21/h2-11,23-24H,12-19H2,1H3
InChIKeyLPNAAUVALCAVAB-UHFFFAOYSA-N
XLogP3.35
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-but-2-enedioic acid;5-[(4-fluorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
CID 67622924
5-[(2-chlorophenyl)methyl]-3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
CID 54219834
5-[(2-bromophenyl)methyl]-3-[3-(4-methoxypiperidin-1-yl)-1-phenylpropyl]-1,3-oxazolidin-2-one;but-2-enedioic acid
CID 67623123
5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one
CID 54254428
(E)-but-2-enedioic acid;3-(3-morpholin-4-yl-1-phenylpropyl)-1,3-oxazolidin-2-one
CID 67623511
5-benzyl-3-phenyl-1,3-oxazolidin-2-one
CID 21393580
1-(4-acetyl-2-benzylpiperazin-1-yl)propan-1-one
CID 110477513
1-[4-[3-(3-aminophenyl)-3-hydroxypropyl]piperazin-1-yl]ethanone
CID 82135880
2,2-diphenyl-1-(4-propylpiperazin-1-yl)ethanone
CID 11232518
5-benzyl-3-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 54588510
1-(4-acetylpiperazin-1-yl)-2-(4-benzylpiperidin-1-yl)ethanone
CID 46157809
1-[4-(3-benzylsulfanylpropyl)piperazin-1-yl]ethanone
CID 75434924

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one (CID 54045807) is 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one is CC(=O)N1CCN(CCC(c2ccccc2)N2CC(Cc3ccccc3)OC2=O)CC1.
What is the InChIKey of 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one?
The InChIKey is LPNAAUVALCAVAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-20(29)27-16-14-26(15-17-27)13-12-24(22-10-6-3-7-11-22)28-19-23(31-25(28)30)18-21-8-4-2-5-9-21/h2-11,23-24H,12-19H2,1H3.
What are the key properties of 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one?
3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one has a molecular weight of 421.54 g/mol, XLogP of 3.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-acetylpiperazin-1-yl)-1-phenylpropyl]-5-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 54045807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).