3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one

C16H21N3O3 — CID 110686871

IUPAC3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C(CCN1CCOC1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O3/c20-15(6-7-19-12-13-22-16(19)21)18-10-8-17(9-11-18)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyHLJFWHWNVBLBPW-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.18
Rot. Bonds4

About 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one

3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (PubChem CID 110686871) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
PubChem CID110686871
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one
SMILESO=C(CCN1CCOC1=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C16H21N3O3/c20-15(6-7-19-12-13-22-16(19)21)18-10-8-17(9-11-18)14-4-2-1-3-5-14/h1-5H,6-13H2
InChIKeyHLJFWHWNVBLBPW-UHFFFAOYSA-N
XLogP1.18
TPSA53.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[4-(2-fluorophenyl)piperazin-1-yl]-3-oxopropyl]-1,3-oxazinan-2-one
CID 110854608
1,6-bis(4-phenylpiperazin-1-yl)hexane-1,6-dione
CID 2933488
1-(4-phenylpiperazin-1-yl)pentane-1,4-dione
CID 60636215
3-(4-methylpiperazin-1-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 110853147
1-(4-methylpiperazin-1-yl)-3-(4-phenylpiperazin-1-yl)propan-1-one
CID 109017216
3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 109027023
3-(oxan-4-yl)-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 84577370
1-(4-methylsulfonylpiperazin-1-yl)-4-(4-phenylpiperazin-1-yl)butane-1,4-dione
CID 29136351
2-[3-[4-(4-fluorophenyl)piperazin-1-yl]-3-oxopropyl]isoindole-1,3-dione
CID 2302169
3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one;2,2,2-trifluoroacetic acid
CID 154887572
ethyl 4-oxo-4-(4-phenylpiperazin-1-yl)butanoate
CID 60636216
4-phenoxy-1-(4-phenylpiperazin-1-yl)butan-1-one
CID 2290599

Frequently Asked Questions

What is the IUPAC name of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one (CID 110686871) is 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is O=C(CCN1CCOC1=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
The InChIKey is HLJFWHWNVBLBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c20-15(6-7-19-12-13-22-16(19)21)18-10-8-17(9-11-18)14-4-2-1-3-5-14/h1-5H,6-13H2.
What are the key properties of 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one?
3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one has a molecular weight of 303.36 g/mol, XLogP of 1.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 110686871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).