3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one

C20H31N3O2 — CID 95632888

IUPAC3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@H](N(C)CCCN2CCOC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-17-15-19(9-12-23(17)16-18-7-4-3-5-8-18)21(2)10-6-11-22-13-14-25-20(22)24/h3-5,7-8,17,19H,6,9-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyZBYBIZRDNYIVGM-PKOBYXMFSA-N
MW345.49 g/mol
LogP2.81
Rot. Bonds7

About 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one

3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one (PubChem CID 95632888) has the molecular formula C20H31N3O2 and a molecular weight of 345.49 g/mol. Its IUPAC name is 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
PubChem CID95632888
Molecular FormulaC20H31N3O2
Molecular Weight345.49 g/mol
Exact Mass345.24
IUPAC Name3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one
SMILESC[C@H]1C[C@H](N(C)CCCN2CCOC2=O)CCN1Cc1ccccc1
InChIInChI=1S/C20H31N3O2/c1-17-15-19(9-12-23(17)16-18-7-4-3-5-8-18)21(2)10-6-11-22-13-14-25-20(22)24/h3-5,7-8,17,19H,6,9-16H2,1-2H3/t17-,19+/m0/s1
InChIKeyZBYBIZRDNYIVGM-PKOBYXMFSA-N
XLogP2.81
TPSA36.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one (CID 95632888) is 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one is C[C@H]1C[C@H](N(C)CCCN2CCOC2=O)CCN1Cc1ccccc1.
What is the InChIKey of 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one?
The InChIKey is ZBYBIZRDNYIVGM-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H31N3O2/c1-17-15-19(9-12-23(17)16-18-7-4-3-5-8-18)21(2)10-6-11-22-13-14-25-20(22)24/h3-5,7-8,17,19H,6,9-16H2,1-2H3/t17-,19+/m0/s1.
What are the key properties of 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one?
3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one has a molecular weight of 345.49 g/mol, XLogP of 2.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[(2S,4R)-1-benzyl-2-methylpiperidin-4-yl]-methylamino]propyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 95632888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).