(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one

C10H18N2O3 — CID 115056583

IUPAC(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCN1CCC(N2C[C@H](CO)OC2=O)CC1
InChIInChI=1S/C10H18N2O3/c1-11-4-2-8(3-5-11)12-6-9(7-13)15-10(12)14/h8-9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyCMZVUXCNFSCZNT-SECBINFHSA-N
MW214.26 g/mol
LogP-0.11
Rot. Bonds2

About (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one

(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one (PubChem CID 115056583) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
PubChem CID115056583
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one
SMILESCN1CCC(N2C[C@H](CO)OC2=O)CC1
InChIInChI=1S/C10H18N2O3/c1-11-4-2-8(3-5-11)12-6-9(7-13)15-10(12)14/h8-9,13H,2-7H2,1H3/t9-/m1/s1
InChIKeyCMZVUXCNFSCZNT-SECBINFHSA-N
XLogP-0.11
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one (CID 115056583) is (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one is CN1CCC(N2C[C@H](CO)OC2=O)CC1.
What is the InChIKey of (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one?
The InChIKey is CMZVUXCNFSCZNT-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O3/c1-11-4-2-8(3-5-11)12-6-9(7-13)15-10(12)14/h8-9,13H,2-7H2,1H3/t9-/m1/s1.
What are the key properties of (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one?
(5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one has a molecular weight of 214.26 g/mol, XLogP of -0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(hydroxymethyl)-3-(1-methylpiperidin-4-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 115056583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).