5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one

C12H22N2O2 — CID 117158807

IUPAC5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCCC(CC2CNC(=O)O2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)14-5-3-4-10(8-14)6-11-7-13-12(15)16-11/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyDJNZHNJBXGJPPO-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.61
Rot. Bonds3

About 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one

5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one (PubChem CID 117158807) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
PubChem CID117158807
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one
SMILESCC(C)N1CCCC(CC2CNC(=O)O2)C1
InChIInChI=1S/C12H22N2O2/c1-9(2)14-5-3-4-10(8-14)6-11-7-13-12(15)16-11/h9-11H,3-8H2,1-2H3,(H,13,15)
InChIKeyDJNZHNJBXGJPPO-UHFFFAOYSA-N
XLogP1.61
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one (CID 117158807) is 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one is CC(C)N1CCCC(CC2CNC(=O)O2)C1.
What is the InChIKey of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
The InChIKey is DJNZHNJBXGJPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14-5-3-4-10(8-14)6-11-7-13-12(15)16-11/h9-11H,3-8H2,1-2H3,(H,13,15).
What are the key properties of 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one?
5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one has a molecular weight of 226.32 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 117158807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).