(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one

C21H26N2O3 — CID 7157493

IUPAC(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC1CCN(CN2C[C@H](COc3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C21H26N2O3/c1-16-9-11-22(12-10-16)15-23-13-18(26-21(23)24)14-25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,16,18H,9-15H2,1H3/t18-/m1/s1
InChIKeyPCFMYCFECZWPGJ-GOSISDBHSA-N
MW354.45 g/mol
LogP3.73
Rot. Bonds5

About (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 7157493) has the molecular formula C21H26N2O3 and a molecular weight of 354.45 g/mol. Its IUPAC name is (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
PubChem CID7157493
Molecular FormulaC21H26N2O3
Molecular Weight354.45 g/mol
Exact Mass354.19
IUPAC Name(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one
SMILESCC1CCN(CN2C[C@H](COc3cccc4ccccc34)OC2=O)CC1
InChIInChI=1S/C21H26N2O3/c1-16-9-11-22(12-10-16)15-23-13-18(26-21(23)24)14-25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,16,18H,9-15H2,1H3/t18-/m1/s1
InChIKeyPCFMYCFECZWPGJ-GOSISDBHSA-N
XLogP3.73
TPSA42.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one (CID 7157493) is (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one is CC1CCN(CN2C[C@H](COc3cccc4ccccc34)OC2=O)CC1.
What is the InChIKey of (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is PCFMYCFECZWPGJ-GOSISDBHSA-N. The full InChI is InChI=1S/C21H26N2O3/c1-16-9-11-22(12-10-16)15-23-13-18(26-21(23)24)14-25-20-8-4-6-17-5-2-3-7-19(17)20/h2-8,16,18H,9-15H2,1H3/t18-/m1/s1.
What are the key properties of (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 354.45 g/mol, XLogP of 3.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[(4-methylpiperidin-1-yl)methyl]-5-(naphthalen-1-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 7157493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).