3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one

C12H20N2O3 — CID 47070741

IUPAC3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCC1CCCN(C(=O)CCN2CCOC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-10-3-2-5-14(9-10)11(15)4-6-13-7-8-17-12(13)16/h10H,2-9H2,1H3
InChIKeyAIDFRXUZGGHEOU-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.09
Rot. Bonds3

About 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one

3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one (PubChem CID 47070741) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one
PubChem CID47070741
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one
SMILESCC1CCCN(C(=O)CCN2CCOC2=O)C1
InChIInChI=1S/C12H20N2O3/c1-10-3-2-5-14(9-10)11(15)4-6-13-7-8-17-12(13)16/h10H,2-9H2,1H3
InChIKeyAIDFRXUZGGHEOU-UHFFFAOYSA-N
XLogP1.09
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one (CID 47070741) is 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one is CC1CCCN(C(=O)CCN2CCOC2=O)C1.
What is the InChIKey of 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one?
The InChIKey is AIDFRXUZGGHEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-10-3-2-5-14(9-10)11(15)4-6-13-7-8-17-12(13)16/h10H,2-9H2,1H3.
What are the key properties of 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one?
3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one has a molecular weight of 240.30 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 47070741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).