3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene

C18H26N2O3 — CID 142032857

IUPAC3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
SMILESCc1ccccc1.O=C(CCC1CCNCC1)N1CCOC1=O
InChIInChI=1S/C11H18N2O3.C7H8/c14-10(13-7-8-16-11(13)15)2-1-9-3-5-12-6-4-9;1-7-5-3-2-4-6-7/h9,12H,1-8H2;2-6H,1H3
InChIKeyQIAAUHZBRUGAPC-UHFFFAOYSA-N
MW318.42 g/mol
LogP2.74
Rot. Bonds3

About 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene

3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene (PubChem CID 142032857) has the molecular formula C18H26N2O3 and a molecular weight of 318.42 g/mol. Its IUPAC name is 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
PubChem CID142032857
Molecular FormulaC18H26N2O3
Molecular Weight318.42 g/mol
Exact Mass318.19
IUPAC Name3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene
SMILESCc1ccccc1.O=C(CCC1CCNCC1)N1CCOC1=O
InChIInChI=1S/C11H18N2O3.C7H8/c14-10(13-7-8-16-11(13)15)2-1-9-3-5-12-6-4-9;1-7-5-3-2-4-6-7/h9,12H,1-8H2;2-6H,1H3
InChIKeyQIAAUHZBRUGAPC-UHFFFAOYSA-N
XLogP2.74
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene (CID 142032857) is 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene is Cc1ccccc1.O=C(CCC1CCNCC1)N1CCOC1=O.
What is the InChIKey of 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene?
The InChIKey is QIAAUHZBRUGAPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3.C7H8/c14-10(13-7-8-16-11(13)15)2-1-9-3-5-12-6-4-9;1-7-5-3-2-4-6-7/h9,12H,1-8H2;2-6H,1H3.
What are the key properties of 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene?
3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene has a molecular weight of 318.42 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-4-ylpropanoyl)-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 142032857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).